N-tert-butyl-3-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]benzenesulfonamide Openeye Name: 4-[(1-benzyl-4-piperidyl)amino]-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[[1-(phenylmethyl)-4-piperidinyl]amino]benzenesulfonamide IUPAC Name: 4-[(1-benzylpiperidin-4-yl)amino]-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-benzyl-4-piperidyl)amino]-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C22H30N4O4S MolecularWeight: 446.563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O4S/c1-22(2,3)24-31(29,30)19-9-10-20(21(15-19)26(27)28)23-18-11-13-25(14-12-18)16-17-7-5-4-6-8-17/h4-10,15,18,23-24H,11-14,16H2,1-3H3