[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Traditional Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O6S/c1-6-20(7-2,8-3)22-18(25)14-29-19(26)16-13-15(30(27,28)23(4)5)9-10-17(16)21-11-12-24/h1,9-10,13,21,24H,7-8,11-12,14H2,2-5H3,(H,22,25)