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

Systemtic Name: ethanedioic acid; 1-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine Openeye Name: 1-methyl-4-[1-(p-tolylsulfonyl)-4-piperidyl]piperazine; oxalic acid CAS Name: 1-methyl-4-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-methyl-4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazine; oxalic acid Traditional Name: 1-methyl-4-(1-tosyl-4-piperidyl)piperazine; oxalic acid Formula: C19H29N3O6S MolecularWeight: 427.51506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2S.C2H2O4/c1-15-3-5-17(6-4-15)23(21,22)20-9-7-16(8-10-20)19-13-11-18(2)12-14-19;3-1(4)2(5)6/h3-6,16H,7-14H2,1-2H3;(H,3,4)(H,5,6)