[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-[2-(methylsulfonylamino)ethyl]benzoate

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-[2-(methylsulfonylamino)ethyl]benzoate Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-[2-(methanesulfonamido)ethyl]benzoate CAS Name: 4-[2-(methanesulfonamido)ethyl]benzoic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-[2-(methanesulfonamido)ethyl]benzoate Traditional Name: 4-[2-(methanesulfonamido)ethyl]benzoic acid [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)CCNS(=O)(=O)C

InChI

InChI=1S/C19H28N2O5S/c1-15(18(22)21-13-5-3-4-6-14-21)26-19(23)17-9-7-16(8-10-17)11-12-20-27(2,24)25/h7-10,15,20H,3-6,11-14H2,1-2H3/t15-/m0/s1