[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC#C)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC#C)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H20N2O6S/c1-3-6-18-16(20)12-25-17(21)14-5-4-13(2)15(11-14)26(22,23)19-7-9-24-10-8-19/h1,4-5,11H,6-10,12H2,2H3,(H,18,20)