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

Systemtic Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-sulfamoylphenyl)-3-pyrrolyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]vinyl]benzoic acid Formula: C22H19N3O4S MolecularWeight: 421.46896

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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)