4-methyl-N-(2-nitrophenyl)-N-(2-oxidanyl-3-piperidin-1-yl-propyl)benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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