2-ethylsulfanyl-N-[(4-nitrophenyl)methyl]-1-(phenylmethyl)benzimidazole-5-sulfonamide

Systemtic Name: 2-ethylsulfanyl-N-[(4-nitrophenyl)methyl]-1-(phenylmethyl)benzimidazole-5-sulfonamide Openeye Name: 1-benzyl-2-ethylsulfanyl-N-[(4-nitrophenyl)methyl]benzimidazole-5-sulfonamide CAS Name: 2-(ethylthio)-N-[(4-nitrophenyl)methyl]-1-(phenylmethyl)-5-benzimidazolesulfonamide IUPAC Name: 1-benzyl-2-ethylsulfanyl-N-[(4-nitrophenyl)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-benzyl-2-(ethylthio)-N-(4-nitrobenzyl)benzimidazole-5-sulfonamide Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)S(=O)(=O)NCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)S(=O)(=O)NCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4S2/c1-2-32-23-25-21-14-20(12-13-22(21)26(23)16-18-6-4-3-5-7-18)33(30,31)24-15-17-8-10-19(11-9-17)27(28)29/h3-14,24H,2,15-16H2,1H3