4-[(E)-1-cyano-2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]ethenyl]benzoate

Systemtic Name: 4-[(E)-1-cyano-2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]ethenyl]benzoate Openeye Name: 4-[(E)-1-cyano-2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]vinyl]benzoate CAS Name: 4-[(E)-1-cyano-2-[2,5-dimethyl-1-(4-sulfamoylphenyl)-3-pyrrolyl]ethenyl]benzoate IUPAC Name: 4-[(E)-1-cyano-2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]ethenyl]benzoate Traditional Name: 4-[(E)-1-cyano-2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]vinyl]benzoate Formula: C22H18N3O4S- MolecularWeight: 420.46102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C=C(C#N)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)/C=C(/C#N)\C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c1-14-11-18(12-19(13-23)16-3-5-17(6-4-16)22(26)27)15(2)25(14)20-7-9-21(10-8-20)30(24,28)29/h3-12H,1-2H3,(H,26,27)(H2,24,28,29)/p-1/b19-12-