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

Systemtic Name: [3-[[butan-2-yl-[(4-ethylphenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(4-ethylphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[butan-2-yl-[(4-ethylanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[(4-ethylphenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(4-ethylphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C27H29F3N2O4S MolecularWeight: 534.59037

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C(C)CC

InChI

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