[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(2-phenylethenylsulfonylamino)ethanoate

Systemtic Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(2-phenylethenylsulfonylamino)ethanoate Openeye Name: [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-(styrylsulfonylamino)acetate CAS Name: 2-(2-phenylethenylsulfonylamino)acetic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(2-phenylethenylsulfonylamino)acetate Traditional Name: 2-(styrylsulfonylamino)acetic acid [2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H23BrN2O5S MolecularWeight: 531.41882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)CNS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)COC(=O)CNS(=O)(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C24H23BrN2O5S/c1-17-14-22(18(2)27(17)21-10-8-20(25)9-11-21)23(28)16-32-24(29)15-26-33(30,31)13-12-19-6-4-3-5-7-19/h3-14,26H,15-16H2,1-2H3