[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-chloro-5-(methylsulfamoyl)benzoate CAS Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(methylsulfamoyl)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C16H21ClN2O5S/c1-18-25(22,23)12-6-7-14(17)13(10-12)16(21)24-11-15(20)19-8-4-2-3-5-9-19/h6-7,10,18H,2-5,8-9,11H2,1H3