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

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

Click to see the large picture

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/c1-17-8-10-21(11-9-17)30(28,29)23(18-6-5-7-19(14-18)24(26)27)16-20(25)15-22-12-3-2-4-13-22/h5-11,14,20,25H,2-4,12-13,15-16H2,1H3