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

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-[1-(phenylmethyl)piperidin-4-yl]piperazine Openeye Name: 1-(1-benzyl-4-piperidyl)-4-ethylsulfonyl-piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-ethylsulfonylpiperazine; oxalic acid Traditional Name: 1-(1-benzyl-4-piperidyl)-4-esyl-piperazine; oxalic acid Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29N3O2S.C2H2O4/c1-2-24(22,23)21-14-12-20(13-15-21)18-8-10-19(11-9-18)16-17-6-4-3-5-7-17;3-1(4)2(5)6/h3-7,18H,2,8-16H2,1H3;(H,3,4)(H,5,6)