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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(propan-2-ylsulfamoyl)benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(isopropylsulfamoyl)benzoate CAS Name: 4-(propan-2-ylsulfamoyl)benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(propan-2-ylsulfamoyl)benzoate Traditional Name: 4-(isopropylsulfamoyl)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:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OC(C)C(=O)N2CCCCCC2

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OC(C)C(=O)N2CCCCCC2

InChI

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