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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(4-fluoranyl-3-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-[(4-fluoro-3-methyl-phenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluoro-3-methyl-phenyl)sulfonylamino]benzoic acid [(3S)-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=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(C#N)C(=N)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)[C@H](C#N)C(=N)C)F

InChI

InChI=1S/C20H18FN3O5S/c1-12-9-14(7-8-17(12)21)30(27,28)24-18-6-4-3-5-15(18)20(26)29-11-19(25)16(10-22)13(2)23/h3-9,16,23-24H,11H2,1-2H3/t16-/m1/s1