ethanedioic acid; 4-(4-ethanoylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide

Systemtic Name: ethanedioic acid; 4-(4-ethanoylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide Openeye Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-N-isobutyl-benzenesulfonamide; oxalic acid CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(2-methylpropyl)benzenesulfonamide; oxalic acid IUPAC Name: 4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzenesulfonamide; oxalic acid Traditional Name: 4-(4-acetylpiperazino)sulfonyl-N-isobutyl-benzenesulfonamide; oxalic acid Formula: C18H27N3O9S2 MolecularWeight: 493.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25N3O5S2.C2H2O4/c1-13(2)12-17-25(21,22)15-4-6-16(7-5-15)26(23,24)19-10-8-18(9-11-19)14(3)20;3-1(4)2(5)6/h4-7,13,17H,8-12H2,1-3H3;(H,3,4)(H,5,6)