ethanedioic acid; N-(4-ethanoylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: ethanedioic acid; N-(4-ethanoylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide; oxalic acid CAS Name: N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]propanamide; oxalic acid IUPAC Name: N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide; oxalic acid Traditional Name: N-(4-acetylphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazino]propionamide; oxalic acid Formula: C24H29N3O9S MolecularWeight: 535.56676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S.C2H2O4/c1-16(22(27)23-19-6-4-18(5-7-19)17(2)26)24-12-14-25(15-13-24)31(28,29)21-10-8-20(30-3)9-11-21;3-1(4)2(5)6/h4-11,16H,12-15H2,1-3H3,(H,23,27);(H,3,4)(H,5,6)