[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Traditional Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)OCC(=O)N2CCCCCCC2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)OCC(=O)N2CCCCCCC2

InChI

InChI=1S/C20H31N3O6S/c1-22(2)30(27,28)16-8-9-18(21-10-13-24)17(14-16)20(26)29-15-19(25)23-11-6-4-3-5-7-12-23/h8-9,14,21,24H,3-7,10-13,15H2,1-2H3