ethanedioic acid; methyl 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanoate

Systemtic Name: ethanedioic acid; methyl 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanoate Openeye Name: methyl 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanoate; oxalic acid CAS Name: 3-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]propanoic acid methyl ester; oxalic acid IUPAC Name: methyl 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanoate; oxalic acid Traditional Name: 3-[4-(4-methoxyphenyl)sulfonylpiperazino]propionic acid methyl ester; oxalic acid Formula: C17H24N2O9S MolecularWeight: 432.44546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22N2O5S.C2H2O4/c1-21-13-3-5-14(6-4-13)23(19,20)17-11-9-16(10-12-17)8-7-15(18)22-2;3-1(4)2(5)6/h3-6H,7-12H2,1-2H3;(H,3,4)(H,5,6)