[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C24H20BrN3O6S MolecularWeight: 558.4011

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H20BrN3O6S/c1-2-33-21-12-7-18(25)13-22(21)35(31,32)28-20-10-5-17(6-11-20)24(30)34-15-23(29)27-19-8-3-16(14-26)4-9-19/h3-13,28H,2,15H2,1H3,(H,27,29)