[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-[(5-fluoro-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 3-[(5-fluoro-2-methyl-phenyl)sulfonylamino]benzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H18FN3O5S MolecularWeight: 431.437423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C20H18FN3O5S/c1-12-6-7-15(21)9-19(12)30(27,28)24-16-5-3-4-14(8-16)20(26)29-11-18(25)17(10-22)13(2)23/h3-9,17,23-24H,11H2,1-2H3/t17-/m0/s1