(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-3-pyrrolyl)-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-N-(4-piperidinosulfonylbenzyl)acrylamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C(C#N)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C(\C#N)/C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H25N5O3S/c1-17-19(13-21(15-25)27(17)2)12-20(14-24)23(29)26-16-18-6-8-22(9-7-18)32(30,31)28-10-4-3-5-11-28/h6-9,12-13H,3-5,10-11,16H2,1-2H3,(H,26,29)/b20-12+