[3-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(3-chloro-4-fluoroanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3-chloro-4-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C24H21ClF4N2O4S MolecularWeight: 544.946153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C24H21ClF4N2O4S/c1-15(2)31(23(32)30-18-9-10-22(26)21(25)13-18)14-16-5-3-7-19(11-16)35-36(33,34)20-8-4-6-17(12-20)24(27,28)29/h3-13,15H,14H2,1-2H3,(H,30,32)