[1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)F)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)F)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25FN2O5S/c1-16(21(26)24-19-10-7-9-18(23)15-19)30-22(27)17-8-6-11-20(14-17)31(28,29)25-12-4-2-3-5-13-25/h6-11,14-16H,2-5,12-13H2,1H3,(H,24,26)