N-(2-chloranyl-4-nitro-phenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]propionamide Formula: C19H20ClN5O5S2 MolecularWeight: 497.9756

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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=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5O5S2/c1-3-8-24-17-7-5-13(32(21,29)30)10-16(17)23-19(24)31-11(2)18(26)22-15-6-4-12(25(27)28)9-14(15)20/h4-7,9-11H,3,8H2,1-2H3,(H,22,26)(H2,21,29,30)