3-[2,6-dimethyl-4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzamide

Systemtic Name: 3-[2,6-dimethyl-4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzamide Openeye Name: 3-[2,6-dimethyl-4-[2-(2-methylanilino)-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzamide CAS Name: 3-[[2,6-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-[2,6-dimethyl-4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzamide Traditional Name: 3-[4-[2-keto-2-(o-toluidino)ethyl]-2,6-dimethyl-piperazino]sulfonylbenzamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C(=O)N)C)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)C(=O)N)C)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C22H28N4O4S/c1-15-7-4-5-10-20(15)24-21(27)14-25-12-16(2)26(17(3)13-25)31(29,30)19-9-6-8-18(11-19)22(23)28/h4-11,16-17H,12-14H2,1-3H3,(H2,23,28)(H,24,27)