3-nitro-4-[4-[oxidanyl(phenyl)methyl]piperidin-1-yl]-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-4-[4-[oxidanyl(phenyl)methyl]piperidin-1-yl]-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[4-[hydroxy(phenyl)methyl]-1-piperidyl]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[hydroxy(phenyl)methyl]-1-piperidinyl]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[4-[hydroxy(phenyl)methyl]piperidino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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