ethanedioic acid; N-[4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: ethanedioic acid; N-[4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: oxalic acid; N-[4-[4-(3-pyridylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: oxalic acid; N-[4-[[4-(3-pyridinylmethyl)-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: oxalic acid; N-[4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: oxalic acid; N-[4-[4-(3-pyridylmethyl)piperazino]sulfonylphenyl]acetamide Formula: C20H24N4O7S MolecularWeight: 464.49216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22N4O3S.C2H2O4/c1-15(23)20-17-4-6-18(7-5-17)26(24,25)22-11-9-21(10-12-22)14-16-3-2-8-19-13-16;3-1(4)2(5)6/h2-8,13H,9-12,14H2,1H3,(H,20,23);(H,3,4)(H,5,6)