[2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(2-fluorophenyl)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-(2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-fluorophenyl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(2-fluorophenyl)-2-keto-ethyl] ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FNO5S/c22-19-11-4-3-10-18(19)20(24)15-28-21(25)16-8-7-9-17(14-16)29(26,27)23-12-5-1-2-6-13-23/h3-4,7-11,14H,1-2,5-6,12-13,15H2