[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H19N3O5S2 MolecularWeight: 469.53336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C22H19N3O5S2/c1-15-3-9-19(10-4-15)32(28,29)25(2)18-7-5-16(6-8-18)22(27)30-14-20(26)24-21-17(13-23)11-12-31-21/h3-12H,14H2,1-2H3,(H,24,26)