[(3S)-2-oxidanylideneazepan-3-yl] 2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [(3S)-2-oxidanylideneazepan-3-yl] 2-[(4-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [(3S)-2-oxoazepan-3-yl] 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid [(3S)-2-oxo-3-azepanyl] ester IUPAC Name: [(3S)-2-oxoazepan-3-yl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluoro-2-methyl-phenyl)sulfonylamino]benzoic acid [(3S)-2-ketoazepan-3-yl] ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)OC3CCCCNC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)O[C@H]3CCCCNC3=O

InChI

InChI=1S/C20H21FN2O5S/c1-13-12-14(21)9-10-18(13)29(26,27)23-16-7-3-2-6-15(16)20(25)28-17-8-4-5-11-22-19(17)24/h2-3,6-7,9-10,12,17,23H,4-5,8,11H2,1H3,(H,22,24)/t17-/m0/s1