[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C24H21N3O5S/c1-16-7-8-17(2)22(13-16)33(30,31)27-20-11-9-18(10-12-20)24(29)32-15-23(28)26-21-6-4-3-5-19(21)14-25/h3-13,27H,15H2,1-2H3,(H,26,28)