[3-[[butan-2-yl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[butan-2-yl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(2,3-dimethylphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[butan-2-yl-[(2,3-dimethylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(2,3-dimethylphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C27H29F3N2O4S MolecularWeight: 534.59037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C27H29F3N2O4S/c1-5-19(3)32(26(33)31-25-14-6-9-18(2)20(25)4)17-21-10-7-12-23(15-21)36-37(34,35)24-13-8-11-22(16-24)27(28,29)30/h6-16,19H,5,17H2,1-4H3,(H,31,33)