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

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C22H22FNO6S MolecularWeight: 447.476583

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)OC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FNO6S/c1-31(28,29)14-15-5-7-17(8-6-15)22(27)30-19-4-2-3-13-24(21(19)26)20(25)16-9-11-18(23)12-10-16/h5-12,19H,2-4,13-14H2,1H3