[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-methylbenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-methyl-benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-14-9-10-16(27(24,25)20(3)4)13-17(14)19(23)26-15(2)18(22)21-11-7-5-6-8-12-21/h9-10,13,15H,5-8,11-12H2,1-4H3