[4-chloranyl-2-[[(3-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-chloranyl-2-[[(3-fluorophenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-chloro-2-[[(3-fluorobenzoyl)-isopropyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-chloro-2-[[[(3-fluorophenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[(3-fluorobenzoyl)-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-chloro-2-[[(3-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=C2)F

Isomeric SMILES

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

InChI

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