N-(2,4-dimethylphenyl)-3-nitro-4-[3-(trifluoromethyl)piperidin-1-yl]benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-[3-(trifluoromethyl)piperidin-1-yl]benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-3-nitro-4-[3-(trifluoromethyl)-1-piperidyl]benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-[3-(trifluoromethyl)-1-piperidinyl]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-nitro-4-[3-(trifluoromethyl)piperidin-1-yl]benzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-3-nitro-4-[3-(trifluoromethyl)piperidino]benzenesulfonamide Formula: C20H22F3N3O4S MolecularWeight: 457.46659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C20H22F3N3O4S/c1-13-5-7-17(14(2)10-13)24-31(29,30)16-6-8-18(19(11-16)26(27)28)25-9-3-4-15(12-25)20(21,22)23/h5-8,10-11,15,24H,3-4,9,12H2,1-2H3