[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-methylbenzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-methyl-benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)OCC(=O)N2CCCCCCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)OCC(=O)N2CCCCCCC2

InChI

InChI=1S/C21H32N2O5S/c1-4-23(5-2)29(26,27)18-12-11-17(3)19(15-18)21(25)28-16-20(24)22-13-9-7-6-8-10-14-22/h11-12,15H,4-10,13-14,16H2,1-3H3