[4-[[(3-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(3-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(3-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(3-fluoroanilino)-oxomethyl]-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(3-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(3-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C18H21FN2O5S MolecularWeight: 396.433143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O5S/c1-25-11-10-21(18(22)20-16-5-3-4-15(19)12-16)13-14-6-8-17(9-7-14)26-27(2,23)24/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)