ethanedioic acid; 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide

Systemtic Name: ethanedioic acid; 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide Openeye Name: N-(1,1-dimethyl-3-oxo-butyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide; oxalic acid CAS Name: 3-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-N-(2-methyl-4-oxopentan-2-yl)propanamide; oxalic acid IUPAC Name: 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-4-oxopentan-2-yl)propanamide; oxalic acid Traditional Name: N-(3-keto-1,1-dimethyl-butyl)-3-[4-(4-methoxyphenyl)sulfonylpiperazino]propionamide; oxalic acid Formula: C22H33N3O9S MolecularWeight: 515.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H31N3O5S.C2H2O4/c1-16(24)15-20(2,3)21-19(25)9-10-22-11-13-23(14-12-22)29(26,27)18-7-5-17(28-4)6-8-18;3-1(4)2(5)6/h5-8H,9-15H2,1-4H3,(H,21,25);(H,3,4)(H,5,6)