N-(2-nitrophenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-nitrophenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(2-nitrophenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(2-nitrophenyl)-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]propanamide IUPAC Name: N-(2-nitrophenyl)-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(2-nitrophenyl)-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]propionamide Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

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