N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide; oxalic acid CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]propanamide; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide; oxalic acid Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazino]propionamide; oxalic acid Formula: C23H27N3O10S MolecularWeight: 537.53958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25N3O6S.C2H2O4/c1-15(21(25)22-16-3-8-19-20(13-16)30-14-29-19)23-9-11-24(12-10-23)31(26,27)18-6-4-17(28-2)5-7-18;3-1(4)2(5)6/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,25);(H,3,4)(H,5,6)