[2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-cyano-2-methyl-propanoate

Systemtic Name: [2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-cyano-2-methyl-propanoate Openeye Name: [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-cyano-2-methyl-propanoate CAS Name: 2-cyano-2-methylpropanoic acid [2-[4-chloro-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyano-2-methylpropanoate Traditional Name: 2-cyano-2-methyl-propionic acid [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C17H20ClN3O6S MolecularWeight: 429.8752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C(=O)OCC(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)(C#N)C(=O)OCC(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H20ClN3O6S/c1-17(2,11-19)16(23)27-10-15(22)20-12-3-4-13(18)14(9-12)28(24,25)21-5-7-26-8-6-21/h3-4,9H,5-8,10H2,1-2H3,(H,20,22)