2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5S2/c1-2-3-10-23-17-9-8-15(31(20,28)29)11-16(17)22-19(23)30-12-18(25)21-13-4-6-14(7-5-13)24(26)27/h4-9,11H,2-3,10,12H2,1H3,(H,21,25)(H2,20,28,29)