[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-(prop-2-enylsulfamoyl)benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-(prop-2-enylsulfamoyl)benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 5-(allylsulfamoyl)-2-bromo-benzoate CAS Name: 2-bromo-5-(prop-2-enylsulfamoyl)benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-bromo-5-(prop-2-enylsulfamoyl)benzoate Traditional Name: 5-(allylsulfamoyl)-2-bromo-benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H18BrN3O5S MolecularWeight: 492.34302

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

C=CCNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C20H18BrN3O5S/c1-2-11-23-30(27,28)16-8-9-18(21)17(13-16)20(26)29-14-19(25)24(12-10-22)15-6-4-3-5-7-15/h2-9,13,23H,1,11-12,14H2