ethanedioic acid; 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-phenyl-piperazine

Systemtic Name: ethanedioic acid; 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-phenyl-piperazine Openeye Name: oxalic acid; 1-phenyl-4-[1-(p-tolylsulfonyl)-4-piperidyl]piperazine CAS Name: 1-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-4-phenylpiperazine; oxalic acid IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine; oxalic acid Traditional Name: oxalic acid; 1-phenyl-4-(1-tosyl-4-piperidyl)piperazine Formula: C24H31N3O6S MolecularWeight: 489.58444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O2S.C2H2O4/c1-19-7-9-22(10-8-19)28(26,27)25-13-11-21(12-14-25)24-17-15-23(16-18-24)20-5-3-2-4-6-20;3-1(4)2(5)6/h2-10,21H,11-18H2,1H3;(H,3,4)(H,5,6)