[4-chloranyl-2-[[(2-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-chloranyl-2-[[(2-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-chloro-2-[[(2-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-chloro-2-[[[(2-fluorophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[(2-fluorobenzoyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-chloro-2-[[(2-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C18H19ClFNO4S MolecularWeight: 399.864163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C)C(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C)C(=O)C2=CC=CC=C2F

InChI

InChI=1S/C18H19ClFNO4S/c1-12(2)21(18(22)15-6-4-5-7-16(15)20)11-13-10-14(19)8-9-17(13)25-26(3,23)24/h4-10,12H,11H2,1-3H3