[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [(1R)-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:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OC(C)C(=O)N2CCCCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N2CCCCCC2)C

InChI

InChI=1S/C19H28N2O5S/c1-14-8-9-17(12-15(14)2)27(24,25)20-13-18(22)26-16(3)19(23)21-10-6-4-5-7-11-21/h8-9,12,16,20H,4-7,10-11,13H2,1-3H3/t16-/m1/s1