ethanedioic acid; 1-(4-methylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-(4-methylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine Openeye Name: oxalic acid; 1-(p-tolylsulfonyl)-4-(3-pyridylmethyl)piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-(3-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine; oxalic acid Traditional Name: oxalic acid; 1-(3-pyridylmethyl)-4-tosyl-piperazine Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21N3O2S.C2H2O4/c1-15-4-6-17(7-5-15)23(21,22)20-11-9-19(10-12-20)14-16-3-2-8-18-13-16;3-1(4)2(5)6/h2-8,13H,9-12,14H2,1H3;(H,3,4)(H,5,6)