[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(tert-butylsulfamoyl)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(tert-butylsulfamoyl)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-(tert-butylsulfamoyl)benzoate CAS Name: 4-(tert-butylsulfamoyl)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-(tert-butylsulfamoyl)benzoate Traditional Name: 4-(tert-butylsulfamoyl)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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