N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanamide; ethanedioic acid

Systemtic Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanamide; ethanedioic acid Openeye Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid CAS Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide; oxalic acid Traditional Name: oxalic acid; N-[4-(4-piperonylpiperazino)sulfonylphenyl]acetamide Formula: C22H25N3O9S MolecularWeight: 507.5136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23N3O5S.C2H2O4/c1-15(24)21-17-3-5-18(6-4-17)29(25,26)23-10-8-22(9-11-23)13-16-2-7-19-20(12-16)28-14-27-19;3-1(4)2(5)6/h2-7,12H,8-11,13-14H2,1H3,(H,21,24);(H,3,4)(H,5,6)