N-cyclohexyl-2-[[3-(3-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclohexyl-2-[[3-(3-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-cyclohexyl-2-[[3-(3-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-2-[[3-(3-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[[3-(3-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]sulfanyl]acetamide Traditional Name: N-cyclohexyl-2-[[3-(3-nitrophenyl)sulfonyl-1H-benzimidazol-3-ium-2-yl]thio]acetamide Formula: C21H23N4O5S2+ MolecularWeight: 475.56112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S2/c26-20(22-15-7-2-1-3-8-15)14-31-21-23-18-11-4-5-12-19(18)24(21)32(29,30)17-10-6-9-16(13-17)25(27)28/h4-6,9-13,15H,1-3,7-8,14H2,(H,22,26)/p+1