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

Systemtic Name: ethanedioic acid; 1-(4-methylphenyl)sulfonyl-4-[1-(phenylmethyl)piperidin-4-yl]piperazine Openeye Name: 1-(1-benzyl-4-piperidyl)-4-(p-tolylsulfonyl)piperazine; oxalic acid CAS Name: 1-(4-methylphenyl)sulfonyl-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(1-benzyl-4-piperidyl)-4-tosyl-piperazine; oxalic acid Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3O2S.C2H2O4/c1-20-7-9-23(10-8-20)29(27,28)26-17-15-25(16-18-26)22-11-13-24(14-12-22)19-21-5-3-2-4-6-21;3-1(4)2(5)6/h2-10,22H,11-19H2,1H3;(H,3,4)(H,5,6)