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

Systemtic Name: (E)-N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide Openeye Name: (E)-N-(2-chloro-5-methylsulfonyl-phenyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-N-(2-chloro-5-methylsulfonylphenyl)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenamide IUPAC Name: (E)-N-(2-chloro-5-methylsulfonylphenyl)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enamide Traditional Name: (E)-N-(2-chloro-5-mesyl-phenyl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-5-8-24-13(2)9-15(14(24)3)10-16(12-22)20(25)23-19-11-17(28(4,26)27)6-7-18(19)21/h6-7,9-11H,5,8H2,1-4H3,(H,23,25)/b16-10+