[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(diethylsulfamoyl)benzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(diethylsulfamoyl)benzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate CAS Name: 2-chloro-5-(diethylsulfamoyl)benzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(diethylsulfamoyl)benzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C21H31ClN2O5S MolecularWeight: 458.99924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2CCCCCCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2CCCCCCC2

InChI

InChI=1S/C21H31ClN2O5S/c1-3-24(4-2)30(27,28)17-12-13-19(22)18(14-17)21(26)29-15-20(25)23-16-10-8-6-5-7-9-11-16/h12-14,16H,3-11,15H2,1-2H3,(H,23,25)