[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoate CAS Name: 2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoic acid [2-(3-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=CC=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

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