ethanedioic acid; 1-[1-(phenylmethyl)piperidin-4-yl]-4-(phenylsulfonyl)piperazine

Systemtic Name: ethanedioic acid; 1-[1-(phenylmethyl)piperidin-4-yl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-(1-benzyl-4-piperidyl)piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-(1-benzylpiperidin-4-yl)piperazine; oxalic acid Traditional Name: 1-(1-benzyl-4-piperidyl)-4-besyl-piperazine; oxalic acid Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O2S.C2H2O4/c26-28(27,22-9-5-2-6-10-22)25-17-15-24(16-18-25)21-11-13-23(14-12-21)19-20-7-3-1-4-8-20;3-1(4)2(5)6/h1-10,21H,11-19H2;(H,3,4)(H,5,6)