3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: 3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[(1-ethyl-5-sulfamoyl-2-benzimidazolyl)thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C

InChI

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