[4-methyl-2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyridin-3-yl] methanesulfonate

Systemtic Name: [4-methyl-2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyridin-3-yl] methanesulfonate Openeye Name: [4-methyl-2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-3-pyridyl] methanesulfonate CAS Name: methanesulfonic acid [4-methyl-2-[oxo-[4-[4-(trifluoromethyl)phenoxy]anilino]methyl]-3-pyridinyl] ester IUPAC Name: [4-methyl-2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyridin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-methyl-2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-3-pyridyl] ester Formula: C21H17F3N2O5S MolecularWeight: 466.43029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)C(F)(F)F)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NC=C1)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)C(F)(F)F)OS(=O)(=O)C

InChI

InChI=1S/C21H17F3N2O5S/c1-13-11-12-25-18(19(13)31-32(2,28)29)20(27)26-15-5-9-17(10-6-15)30-16-7-3-14(4-8-16)21(22,23)24/h3-12H,1-2H3,(H,26,27)