BM 567

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Systematic / IUPAC Name: 2-(Cyclohexylamino)-5-nitro-N-(pentylcarbamoyl)benzenesulfonamide

ID: Reference4418

Other Names: N-Pentyl-N'-[2-cyclohexylamino-5-nitrobenzenesulfonyl]urea ;
1-(2-Cyclohexylamino-5-nitro-benzenesulfonyl)-3-pentyl-urea;
2-(Cyclohexylamino)-5-nitro-N-[(pentylamino)carbonyl]-benzenesulfonamide;
Benzenesulfonamide,2-(cyclohexylamino)-5-nitro-N-[(pentylamino)carbonyl]-

Formula: C18H28N4O5S

Class: Endogenous Metabolites

Spectral Data

BM 567 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 Elite
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/4/2016 12:13:34 PM
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Identificators

InChI InChI=1S/C18H28N4O5S/c1-2-3-7-12-19-18(23)21-28(26,27)17-13-15(22(24)25)10-11-16(17)20-14-8-5-4-6-9-14/h10-11,13-14,20H,2-9,12H2,1H3,(H2,19,21,23)
InChI Key WNIPBGJWMANRGA-UHFFFAOYSA-N
Canonical SMILES CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N](=O)O
CAS 284464773
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Other Names N-Pentyl-N'-[2-cyclohexylamino-5-nitrobenzenesulfonyl]urea ;
1-(2-Cyclohexylamino-5-nitro-benzenesulfonyl)-3-pentyl-urea;
2-(Cyclohexylamino)-5-nitro-N-[(pentylamino)carbonyl]-benzenesulfonamide;
Benzenesulfonamide,2-(cyclohexylamino)-5-nitro-N-[(pentylamino)carbonyl]-

In Other Databases

ChemSpider 8042059
PubChem 9866368
ChEMBL CHEMBL7353