N-[3-(benzimidazol-1-yl)-2-oxidanyl-propyl]-N-(3-nitrophenyl)benzenesulfonamide

Systemtic Name: N-[3-(benzimidazol-1-yl)-2-oxidanyl-propyl]-N-(3-nitrophenyl)benzenesulfonamide Openeye Name: N-[3-(benzimidazol-1-yl)-2-hydroxy-propyl]-N-(3-nitrophenyl)benzenesulfonamide CAS Name: N-[3-(1-benzimidazolyl)-2-hydroxypropyl]-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: N-[3-(benzimidazol-1-yl)-2-hydroxypropyl]-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: N-[3-(benzimidazol-1-yl)-2-hydroxy-propyl]-N-(3-nitrophenyl)benzenesulfonamide Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C=NC3=CC=CC=C32)O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C=NC3=CC=CC=C32)O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5S/c27-19(14-24-16-23-21-11-4-5-12-22(21)24)15-25(17-7-6-8-18(13-17)26(28)29)32(30,31)20-9-2-1-3-10-20/h1-13,16,19,27H,14-15H2