[5-[[butan-2-yl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [5-[[butan-2-yl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[[(2,6-diisopropylphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[butan-2-yl-[[2,6-di(propan-2-yl)anilino]-oxomethyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-[[2,6-di(propan-2-yl)phenyl]carbamoyl]amino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[(2,6-diisopropylphenyl)carbamoyl-sec-butyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C32H39F3N2O5S MolecularWeight: 620.72267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H39F3N2O5S/c1-8-22(6)37(31(38)36-30-26(20(2)3)13-10-14-27(30)21(4)5)19-23-15-16-28(41-7)29(17-23)42-43(39,40)25-12-9-11-24(18-25)32(33,34)35/h9-18,20-22H,8,19H2,1-7H3,(H,36,38)