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

Systemtic Name: N,N-diethyl-3-nitro-4-[4-[(S)-oxidanyl(phenyl)methyl]piperidin-1-yl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-[(S)-hydroxy(phenyl)methyl]-1-piperidyl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[(S)-hydroxy(phenyl)methyl]-1-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-[(S)-hydroxy(phenyl)methyl]piperidino]-3-nitro-benzenesulfonamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-3-24(4-2)31(29,30)19-10-11-20(21(16-19)25(27)28)23-14-12-18(13-15-23)22(26)17-8-6-5-7-9-17/h5-11,16,18,22,26H,3-4,12-15H2,1-2H3/t22-/m1/s1