ethanedioic acid; N-[2-methyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]benzenesulfonamide

Systemtic Name: ethanedioic acid; N-[2-methyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]benzenesulfonamide Openeye Name: N-[2-(4-benzyl-1-piperidyl)-1,1-dimethyl-ethyl]benzenesulfonamide; oxalic acid CAS Name: N-[2-methyl-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]benzenesulfonamide; oxalic acid IUPAC Name: N-[1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide; oxalic acid Traditional Name: N-[2-(4-benzylpiperidino)-1,1-dimethyl-ethyl]benzenesulfonamide; oxalic acid Formula: C24H32N2O6S MolecularWeight: 476.58568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCC(CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(CN1CCC(CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H30N2O2S.C2H2O4/c1-22(2,23-27(25,26)21-11-7-4-8-12-21)18-24-15-13-20(14-16-24)17-19-9-5-3-6-10-19;3-1(4)2(5)6/h3-12,20,23H,13-18H2,1-2H3;(H,3,4)(H,5,6)