[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-methylsulfonylbenzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C21H20FNO6S MolecularWeight: 433.450003

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO6S/c1-30(27,28)17-11-7-15(8-12-17)21(26)29-18-4-2-3-13-23(20(18)25)19(24)14-5-9-16(22)10-6-14/h5-12,18H,2-4,13H2,1H3