ethanedioic acid; N-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: ethanedioic acid; N-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid CAS Name: N-[4-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid Traditional Name: oxalic acid; N-[4-(4-p-anisylpiperazino)sulfonylphenyl]acetamide Formula: C22H27N3O8S MolecularWeight: 493.53008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S.C2H2O4/c1-16(24)21-18-5-9-20(10-6-18)28(25,26)23-13-11-22(12-14-23)15-17-3-7-19(27-2)8-4-17;3-1(4)2(5)6/h3-10H,11-15H2,1-2H3,(H,21,24);(H,3,4)(H,5,6)