N-(4-methylphenyl)-2-nitro-N-(2-oxidanyl-3-piperidin-1-yl-propyl)benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-2-nitro-N-(2-oxidanyl-3-piperidin-1-yl-propyl)benzenesulfonamide Openeye Name: N-[2-hydroxy-3-(1-piperidyl)propyl]-2-nitro-N-(p-tolyl)benzenesulfonamide CAS Name: N-[2-hydroxy-3-(1-piperidinyl)propyl]-N-(4-methylphenyl)-2-nitrobenzenesulfonamide IUPAC Name: N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methylphenyl)-2-nitrobenzenesulfonamide Traditional Name: N-(2-hydroxy-3-piperidino-propyl)-2-nitro-N-(p-tolyl)benzenesulfonamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(CN2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(CN2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5S/c1-17-9-11-18(12-10-17)23(16-19(25)15-22-13-5-2-6-14-22)30(28,29)21-8-4-3-7-20(21)24(26)27/h3-4,7-12,19,25H,2,5-6,13-16H2,1H3