[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(dimethylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-(dimethylsulfamoyl)-4-methoxy-benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-(dimethylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(dimethylsulfamoyl)-4-methoxybenzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(dimethylsulfamoyl)-4-methoxy-benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-14(18(22)21-11-7-5-6-8-12-21)27-19(23)15-9-10-16(26-4)17(13-15)28(24,25)20(2)3/h9-10,13-14H,5-8,11-12H2,1-4H3/t14-/m1/s1