HMR 1171

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Systematic / IUPAC Name: 5-(Benzylsulfonyl)-2-{[2-(dimethylamino)ethyl](ethyl)amino}-N,N-diethyl-4-(4-phenyl-1-piperidinyl)benzamide

ID: Reference2829

Other Names: 5-(Benzylsulfonyl)-2-{[2-(dimethylamino)ethyl](ethyl)amino}-N,N-diethyl-4-(4-phenylpiperidin-1-yl)benzamide;
Benzamide, 2-{[2-(dimethylamino)ethyl]ethylamino}-N,N-diethyl-5-[(phenylmethyl)sulfonyl]-4-(4-phenyl-1-piperidinyl)-

Formula: C35H48N4O3S

Spectral Data

HMR 1171 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/18/2015 2:12:19 PM
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Identificators

InChI InChI=1S/C35H48N4O3S/c1-6-37(7-2)35(40)31-25-34(43(41,42)27-28-15-11-9-12-16-28)33(26-32(31)38(8-3)24-23-36(4)5)39-21-19-30(20-22-39)29-17-13-10-14-18-29/h9-18,25-26,30H,6-8,19-24,27H2,1-5H3
InChI Key AUEUBSJNKBZSKK-UHFFFAOYSA-N
Canonical SMILES CCN(CC)C(=O)C1=CC(=C(C=C1N(CC)CCN(C)C)N2CCC(CC2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4
CAS
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Other Names 5-(Benzylsulfonyl)-2-{[2-(dimethylamino)ethyl](ethyl)amino}-N,N-diethyl-4-(4-phenylpiperidin-1-yl)benzamide;
Benzamide, 2-{[2-(dimethylamino)ethyl]ethylamino}-N,N-diethyl-5-[(phenylmethyl)sulfonyl]-4-(4-phenyl-1-piperidinyl)-

In Other Databases

PubChem 9895035
ChEMBL CHEMBL3303793
ChemSpider 8070703