4-methyl-3-nitro-N-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-3-nitro-N-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-methyl-3-nitro-N-[2-oxo-2-(1-piperidyl)ethyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[2-oxo-2-(1-piperidinyl)ethyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: N-(2-keto-2-piperidino-ethyl)-4-methyl-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C21H22F3N3O5S MolecularWeight: 485.47669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22F3N3O5S/c1-15-8-9-18(13-19(15)27(29)30)33(31,32)26(14-20(28)25-10-3-2-4-11-25)17-7-5-6-16(12-17)21(22,23)24/h5-9,12-13H,2-4,10-11,14H2,1H3