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

Systemtic Name: [4-[[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-[[(4-methoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[butan-2-yl-[(4-methoxyanilino)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[(4-methoxyphenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ester Formula: C26H27F3N2O5S MolecularWeight: 536.56319

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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=C(C=C3)OC

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=C(C=C3)OC

InChI

InChI=1S/C26H27F3N2O5S/c1-4-18(2)31(25(32)30-21-10-14-22(35-3)15-11-21)17-19-8-12-23(13-9-19)36-37(33,34)24-7-5-6-20(16-24)26(27,28)29/h5-16,18H,4,17H2,1-3H3,(H,30,32)