[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C17H16FNO5S MolecularWeight: 365.376043

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H16FNO5S/c1-25(22,23)15-4-2-3-13(9-15)17(21)24-11-16(20)19-10-12-5-7-14(18)8-6-12/h2-9H,10-11H2,1H3,(H,19,20)