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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-22(2,3)23-31(29,30)18-9-10-19(20(15-18)25(27)28)24-13-11-17(12-14-24)21(26)16-7-5-4-6-8-16/h4-10,15,17,21,23,26H,11-14H2,1-3H3/t21-/m1/s1