[4-[[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-[[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[m-tolylcarbamoyl(sec-butyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[butan-2-yl-[(3-methylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[m-tolylcarbamoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C26H27F3N2O4S MolecularWeight: 520.56379

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C26H27F3N2O4S/c1-4-19(3)31(25(32)30-22-9-5-7-18(2)15-22)17-20-11-13-23(14-12-20)35-36(33,34)24-10-6-8-21(16-24)26(27,28)29/h5-16,19H,4,17H2,1-3H3,(H,30,32)