[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-oxidanyl-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-oxidanyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-hydroxy-benzoate CAS Name: 5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate Traditional Name: 5-(diethylsulfamoyl)-2-hydroxy-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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