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

Systemtic Name: [3-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C18H20ClFN2O4S MolecularWeight: 414.878803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClFN2O4S/c1-12(2)22(18(23)21-14-7-8-17(20)16(19)10-14)11-13-5-4-6-15(9-13)26-27(3,24)25/h4-10,12H,11H2,1-3H3,(H,21,23)