[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)sulfonylamino]ethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-[(3-bromophenyl)sulfonylamino]acetate CAS Name: 2-[(3-bromophenyl)sulfonylamino]acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-[(3-bromophenyl)sulfonylamino]acetate Traditional Name: 2-[(3-bromophenyl)sulfonylamino]acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H16BrN3O5S MolecularWeight: 466.30574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C18H16BrN3O5S/c19-14-5-4-8-16(11-14)28(25,26)21-12-18(24)27-13-17(23)22(10-9-20)15-6-2-1-3-7-15/h1-8,11,21H,10,12-13H2