[2-methoxy-5-[[(phenylmethyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [2-methoxy-5-[[(phenylmethyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [5-[[benzylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [2-methoxy-5-[[[oxo-[(phenylmethyl)amino]methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [5-[[benzylcarbamoyl(propan-2-yl)amino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[benzylcarbamoyl(isopropyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C26H27F3N2O5S MolecularWeight: 536.56319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H27F3N2O5S/c1-18(2)31(25(32)30-16-19-8-5-4-6-9-19)17-20-12-13-23(35-3)24(14-20)36-37(33,34)22-11-7-10-21(15-22)26(27,28)29/h4-15,18H,16-17H2,1-3H3,(H,30,32)