ethanedioic acid; 1-(1-methylsulfonylpiperidin-4-yl)-4-(phenylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-(1-methylsulfonylpiperidin-4-yl)-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(1-methylsulfonyl-4-piperidyl)piperazine; oxalic acid CAS Name: 1-(1-methylsulfonyl-4-piperidinyl)-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-(1-methylsulfonylpiperidin-4-yl)piperazine; oxalic acid Traditional Name: 1-benzyl-4-(1-mesyl-4-piperidyl)piperazine; oxalic acid Formula: C19H29N3O6S MolecularWeight: 427.51506

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27N3O2S.C2H2O4/c1-23(21,22)20-9-7-17(8-10-20)19-13-11-18(12-14-19)15-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-6,17H,7-15H2,1H3;(H,3,4)(H,5,6)