ethanedioic acid; N-[4-[4-[(4-ethoxy-3-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: ethanedioic acid; N-[4-[4-[(4-ethoxy-3-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[(4-ethoxy-3-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid CAS Name: N-[4-[[4-[(4-ethoxy-3-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid Traditional Name: N-[4-[4-(4-ethoxy-3-methoxy-benzyl)piperazino]sulfonylphenyl]acetamide; oxalic acid Formula: C24H31N3O9S MolecularWeight: 537.58264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O5S.C2H2O4/c1-4-30-21-10-5-18(15-22(21)29-3)16-24-11-13-25(14-12-24)31(27,28)20-8-6-19(7-9-20)23-17(2)26;3-1(4)2(5)6/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26);(H,3,4)(H,5,6)