[3-[[propan-2-yl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[propan-2-yl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[oxo-[4-(trifluoromethyl)anilino]methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[propan-2-yl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C20H23F3N2O4S MolecularWeight: 444.46783

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

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