[(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 3-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfamoyl]-4-methoxy-benzoate

Systemtic Name: [(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 3-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfamoyl]-4-methoxy-benzoate Openeye Name: [(3R)-4-amino-3-cyano-2-oxo-pent-4-enyl] 3-[(5-chloro-2,4-dimethoxy-phenyl)sulfamoyl]-4-methoxy-benzoate CAS Name: 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methoxybenzoic acid [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methoxybenzoate Traditional Name: 3-[(5-chloro-2,4-dimethoxy-phenyl)sulfamoyl]-4-methoxy-benzoic acid [(3R)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C22H22ClN3O8S MolecularWeight: 523.94338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C(=C)N)S(=O)(=O)NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)[C@@H](C#N)C(=C)N)S(=O)(=O)NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C22H22ClN3O8S/c1-12(25)14(10-24)17(27)11-34-22(28)13-5-6-18(31-2)21(7-13)35(29,30)26-16-8-15(23)19(32-3)9-20(16)33-4/h5-9,14,26H,1,11,25H2,2-4H3/t14-/m0/s1