N-(4-methylphenyl)-N-[3-oxidanylidene-3-(3-oxidanylidenepiperazin-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-N-[3-oxidanylidene-3-(3-oxidanylidenepiperazin-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-N-(p-tolyl)-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-(4-methylphenyl)-N-[3-oxo-3-(3-oxo-1-piperazinyl)propyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(4-methylphenyl)-N-[3-oxo-3-(3-oxopiperazin-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[3-keto-3-(3-ketopiperazino)propyl]-N-(p-tolyl)-3-(trifluoromethyl)benzenesulfonamide Formula: C21H22F3N3O4S MolecularWeight: 469.47729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC(=O)N2CCNC(=O)C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC(=O)N2CCNC(=O)C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O4S/c1-15-5-7-17(8-6-15)27(11-9-20(29)26-12-10-25-19(28)14-26)32(30,31)18-4-2-3-16(13-18)21(22,23)24/h2-8,13H,9-12,14H2,1H3,(H,25,28)