N-[4-(azepan-1-yl)phenyl]-3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)propanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)propanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)propanamide CAS Name: N-[4-(1-azepanyl)phenyl]-3-(1-ethyl-5-sulfamoyl-2-benzimidazolyl)propanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)propanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)propionamide Formula: C24H31N5O3S MolecularWeight: 469.59964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C24H31N5O3S/c1-2-29-22-12-11-20(33(25,31)32)17-21(22)27-23(29)13-14-24(30)26-18-7-9-19(10-8-18)28-15-5-3-4-6-16-28/h7-12,17H,2-6,13-16H2,1H3,(H,26,30)(H2,25,31,32)