[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Traditional Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C21H35N3O6S MolecularWeight: 457.5841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)NCCO

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)NCCO

InChI

InChI=1S/C21H35N3O6S/c1-15(2)7-6-8-16(3)23-20(26)14-30-21(27)18-13-17(31(28,29)24(4)5)9-10-19(18)22-11-12-25/h9-10,13,15-16,22,25H,6-8,11-12,14H2,1-5H3,(H,23,26)