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

Systemtic Name: ethanedioic acid; N-[4-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: oxalic acid; N-[4-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: oxalic acid; N-[4-[[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: oxalic acid; N-[4-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: oxalic acid; N-[4-[4-(3-phenoxybenzyl)piperazino]sulfonylphenyl]acetamide Formula: C27H29N3O8S MolecularWeight: 555.59946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H27N3O4S.C2H2O4/c1-20(29)26-22-10-12-25(13-11-22)33(30,31)28-16-14-27(15-17-28)19-21-6-5-9-24(18-21)32-23-7-3-2-4-8-23;3-1(4)2(5)6/h2-13,18H,14-17,19H2,1H3,(H,26,29);(H,3,4)(H,5,6)