(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(2-methyl-5-methylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(2-methyl-5-methylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(2-methyl-5-methylsulfonyl-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-N-(2-methyl-5-methylsulfonylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methyl-5-methylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-N-(5-mesyl-2-methyl-phenyl)acrylamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)C)C

InChI

InChI=1S/C21H25N3O3S/c1-6-9-24-15(3)10-17(16(24)4)11-18(13-22)21(25)23-20-12-19(28(5,26)27)8-7-14(20)2/h7-8,10-12H,6,9H2,1-5H3,(H,23,25)/b18-11+