methyl 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methyl-benzoate CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate Traditional Name: 3-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-4-methyl-benzoic acid methyl ester Formula: C17H13F6NO4S MolecularWeight: 441.344839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H13F6NO4S/c1-9-3-4-10(15(25)28-2)5-14(9)24-29(26,27)13-7-11(16(18,19)20)6-12(8-13)17(21,22)23/h3-8,24H,1-2H3