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

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-pyridylmethyl)piperazine; oxalic acid Formula: C19H23N3O7S MolecularWeight: 437.46682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21N3O3S.C2H2O4/c1-23-16-4-6-17(7-5-16)24(21,22)20-11-9-19(10-12-20)14-15-3-2-8-18-13-15;3-1(4)2(5)6/h2-8,13H,9-12,14H2,1H3;(H,3,4)(H,5,6)