[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(diethylsulfamoyl)benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(diethylsulfamoyl)benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(diethylsulfamoyl)benzoate CAS Name: 4-(diethylsulfamoyl)benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(diethylsulfamoyl)benzoate Traditional Name: 4-(diethylsulfamoyl)benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC(C)C(=O)N2CCCCCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC(C)C(=O)N2CCCCCC2

InChI

InChI=1S/C20H30N2O5S/c1-4-22(5-2)28(25,26)18-12-10-17(11-13-18)20(24)27-16(3)19(23)21-14-8-6-7-9-15-21/h10-13,16H,4-9,14-15H2,1-3H3