[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-(benzylsulfamoyl)-4-chloro-benzoate CAS Name: 4-chloro-3-[(phenylmethyl)sulfamoyl]benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(benzylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(benzylsulfamoyl)-4-chloro-benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H27ClN2O5S/c1-17(22(27)26-13-7-2-3-8-14-26)31-23(28)19-11-12-20(24)21(15-19)32(29,30)25-16-18-9-5-4-6-10-18/h4-6,9-12,15,17,25H,2-3,7-8,13-14,16H2,1H3