(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(3-cyclopentylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(3-cyclopentylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(3-cyclopentylsulfonylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-3-pyrrolyl)-N-(3-cyclopentylsulfonylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(3-cyclopentylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(3-cyclopentylsulfonylphenyl)acrylamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C(C#N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)C3CCCC3

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)S(=O)(=O)C3CCCC3

InChI

InChI=1S/C22H22N4O3S/c1-15-16(11-19(14-24)26(15)2)10-17(13-23)22(27)25-18-6-5-9-21(12-18)30(28,29)20-7-3-4-8-20/h5-6,9-12,20H,3-4,7-8H2,1-2H3,(H,25,27)/b17-10+