prop-2-ynyl 2-[[[2-cyanoethyl(phenylsulfonyl)amino]-propylsulfanyl-phosphoryl]-ethyl-amino]-2-oxidanylidene-ethanoate

Systemtic Name: prop-2-ynyl 2-[[[2-cyanoethyl(phenylsulfonyl)amino]-propylsulfanyl-phosphoryl]-ethyl-amino]-2-oxidanylidene-ethanoate Openeye Name: prop-2-ynyl 2-[[[benzenesulfonyl(2-cyanoethyl)amino]-propylsulfanyl-phosphoryl]-ethyl-amino]-2-oxo-acetate CAS Name: 2-[[[benzenesulfonyl(2-cyanoethyl)amino]-(propylthio)phosphoryl]-ethylamino]-2-oxoacetic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 2-[[[benzenesulfonyl(2-cyanoethyl)amino]-propylsulfanylphosphoryl]-ethylamino]-2-oxoacetate Traditional Name: 2-[[[besyl(2-cyanoethyl)amino]-(propylthio)phosphoryl]-ethyl-amino]-2-keto-acetic acid propargyl ester Formula: C19H24N3O6PS2 MolecularWeight: 485.514121

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(N(CC)C(=O)C(=O)OCC#C)N(CCC#N)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCSP(=O)(N(CC)C(=O)C(=O)OCC#C)N(CCC#N)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C19H24N3O6PS2/c1-4-15-28-19(24)18(23)21(6-3)29(25,30-16-5-2)22(14-10-13-20)31(26,27)17-11-8-7-9-12-17/h1,7-9,11-12H,5-6,10,14-16H2,2-3H3