[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 4-(methylsulfamoyl)benzoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 4-(methylsulfamoyl)benzoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 4-(methylsulfamoyl)benzoate CAS Name: 4-(methylsulfamoyl)benzoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 4-(methylsulfamoyl)benzoate Traditional Name: 4-(methylsulfamoyl)benzoic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5S/c1-5-17(6-2,7-3)19-15(20)12-24-16(21)13-8-10-14(11-9-13)25(22,23)18-4/h1,8-11,18H,6-7,12H2,2-4H3,(H,19,20)