(E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(1-methylsulfonyl-4-piperidyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-N-(1-methylsulfonyl-4-piperidinyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(1-mesyl-4-piperidyl)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]acrylamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C(C#N)C(=O)NC3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C(\C#N)/C(=O)NC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C23H28N4O4S/c1-16-13-18(17(2)27(16)21-5-7-22(31-3)8-6-21)14-19(15-24)23(28)25-20-9-11-26(12-10-20)32(4,29)30/h5-8,13-14,20H,9-12H2,1-4H3,(H,25,28)/b19-14+