methyl 4-chloranyl-2-[[(E)-2-cyano-2-(4-methoxyphenyl)sulfonyl-ethenyl]amino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[[(E)-2-cyano-2-(4-methoxyphenyl)sulfonyl-ethenyl]amino]benzoate Openeye Name: methyl 4-chloro-2-[[(E)-2-cyano-2-(4-methoxyphenyl)sulfonyl-vinyl]amino]benzoate CAS Name: 4-chloro-2-[[(E)-2-cyano-2-(4-methoxyphenyl)sulfonylethenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[[(E)-2-cyano-2-(4-methoxyphenyl)sulfonylethenyl]amino]benzoate Traditional Name: 4-chloro-2-[[(E)-2-cyano-2-(4-methoxyphenyl)sulfonyl-vinyl]amino]benzoic acid methyl ester Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=C(C=CC(=C2)Cl)C(=O)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=C(C=CC(=C2)Cl)C(=O)OC)/C#N

InChI

InChI=1S/C18H15ClN2O5S/c1-25-13-4-6-14(7-5-13)27(23,24)15(10-20)11-21-17-9-12(19)3-8-16(17)18(22)26-2/h3-9,11,21H,1-2H3/b15-11+