ethanedioic acid; N-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: ethanedioic acid; N-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: oxalic acid; N-[4-[4-(2-thienylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: oxalic acid; N-[4-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: oxalic acid; N-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: oxalic acid; N-[4-[4-(2-thenyl)piperazino]sulfonylphenyl]acetamide Formula: C19H23N3O7S2 MolecularWeight: 469.53182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21N3O3S2.C2H2O4/c1-14(21)18-15-4-6-17(7-5-15)25(22,23)20-10-8-19(9-11-20)13-16-3-2-12-24-16;3-1(4)2(5)6/h2-7,12H,8-11,13H2,1H3,(H,18,21);(H,3,4)(H,5,6)