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

Systemtic Name: [3-[[butan-2-yl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[sec-butyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[butan-2-yl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[sec-butyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C20H23F3N2O4S MolecularWeight: 444.46783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O4S/c1-4-14(2)25(13-15-6-5-7-18(12-15)29-30(3,27)28)19(26)24-17-10-8-16(9-11-17)20(21,22)23/h5-12,14H,4,13H2,1-3H3,(H,24,26)