[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]acetic 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-[(4-chlorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H21ClN4O5S MolecularWeight: 488.94394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O5S/c1-25(33(30,31)16-10-8-15(23)9-11-16)13-21(29)32-14-20(28)17(12-24)22-26(2)18-6-4-5-7-19(18)27(22)3/h4-11H,13-14H2,1-3H3