4-[3-[2-cyano-2-(4-nitrophenyl)ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide

Systemtic Name: 4-[3-[2-cyano-2-(4-nitrophenyl)ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Openeye Name: 4-[3-[2-cyano-2-(4-nitrophenyl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide CAS Name: 4-[3-[2-cyano-2-(4-nitrophenyl)ethenyl]-2,5-dimethyl-1-pyrrolyl]benzenesulfonamide IUPAC Name: 4-[3-[2-cyano-2-(4-nitrophenyl)ethenyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide Traditional Name: 4-[3-[2-cyano-2-(4-nitrophenyl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzenesulfonamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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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)[N+](=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)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c1-14-11-17(12-18(13-22)16-3-5-20(6-4-16)25(26)27)15(2)24(14)19-7-9-21(10-8-19)30(23,28)29/h3-12H,1-2H3,(H2,23,28,29)