[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-[methyl(methylsulfonyl)amino]benzoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-[methyl(methylsulfonyl)amino]benzoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 2-[methyl(methylsulfonyl)amino]benzoate CAS Name: 2-[methyl(methylsulfonyl)amino]benzoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 2-[methyl(methylsulfonyl)amino]benzoate Traditional Name: 2-[mesyl(methyl)amino]benzoic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=CC=CC=C3N(C)S(=O)(=O)C)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=CC=CC=C3N(C)S(=O)(=O)C)C

InChI

InChI=1S/C22H22N4O5S/c1-24-18-11-7-8-12-19(18)25(2)21(24)16(13-23)20(27)14-31-22(28)15-9-5-6-10-17(15)26(3)32(4,29)30/h5-12H,14H2,1-4H3