N-[(3R,8S,9aS)-3-(1H-Indol-3-ylmethyl)-1,4-dioxooctahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-2-(phenylsulfonyl)acetamide

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Systematic / IUPAC Name: N-[(3R,8S,9aS)-3-(1H-Indol-3-ylmethyl)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-2-(benzenesulfonyl)acetamide

ID: Reference10558

Other Names: Acetamide, N-[(3R,8S,9aS)-octahydro-3-(1H-indol-3-ylmethyl)-1,4-dioxo-2H-pyrido[1,2-a]pyrazin-8-yl]-2-(phenylsulfonyl)-;
NAT7-259555

Formula: C25H26N4O5S

Spectral Data

N-[(3R,8S,9aS)-3-(1H-Indol-3-ylmethyl)-1,4-dioxooctahydro-2H-pyrido[1,2-a]pyrazin-8-yl]-2-(phenylsulfonyl)acetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1817
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/18/2021 7:48:44 AM
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Identificators

InChI InChI=1S/C25H26N4O5S/c30-23(15-35(33,34)18-6-2-1-3-7-18)27-17-10-11-29-22(13-17)24(31)28-21(25(29)32)12-16-14-26-20-9-5-4-8-19(16)20/h1-9,14,17,21-22,26H,10-13,15H2,(H,27,30)(H,28,31)/t17-,21+,22-/m0/s1
InChI Key BTXSGUZPHARYRM-WTOYTKOKSA-N
Canonical SMILES C1CN2C(CC1NC(=O)CS(=O)(=O)C3=CC=CC=C3)C(=O)NC(C2=O)CC4=CNC5=CC=CC=C54
CAS
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Other Names Acetamide, N-[(3R,8S,9aS)-octahydro-3-(1H-indol-3-ylmethyl)-1,4-dioxo-2H-pyrido[1,2-a]pyrazin-8-yl]-2-(phenylsulfonyl)-;
NAT7-259555

In Other Databases

PubChem 7051138
ChemSpider 5409671