N-methyl-3-nitro-4-[4-[(S)-oxidanyl(phenyl)methyl]piperidin-1-yl]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[4-[(S)-oxidanyl(phenyl)methyl]piperidin-1-yl]benzenesulfonamide Openeye Name: 4-[4-[(S)-hydroxy(phenyl)methyl]-1-piperidyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(S)-hydroxy(phenyl)methyl]-1-piperidinyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-[(S)-hydroxy(phenyl)methyl]piperidino]-N-methyl-3-nitro-benzenesulfonamide Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(C3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)[C@@H](C3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S/c1-20-28(26,27)16-7-8-17(18(13-16)22(24)25)21-11-9-15(10-12-21)19(23)14-5-3-2-4-6-14/h2-8,13,15,19-20,23H,9-12H2,1H3/t19-/m1/s1