[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)C

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)C

InChI

InChI=1S/C17H21NO5S/c1-5-17(6-2,7-3)18-15(19)12-23-16(20)13-10-8-9-11-14(13)24(4,21)22/h1,8-11H,6-7,12H2,2-4H3,(H,18,19)