[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(methylsulfonylamino)benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(methylsulfonylamino)benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(methanesulfonamido)benzoate CAS Name: 2-(methanesulfonamido)benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate Traditional Name: 2-(methanesulfonamido)benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H24N2O5S MolecularWeight: 368.44786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2NS(=O)(=O)C

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2NS(=O)(=O)C

InChI

InChI=1S/C17H24N2O5S/c1-13(16(20)19-11-7-3-4-8-12-19)24-17(21)14-9-5-6-10-15(14)18-25(2,22)23/h5-6,9-10,13,18H,3-4,7-8,11-12H2,1-2H3