(E)-2-cyano-3-(2,5-dimethylphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2,5-dimethylphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(2,5-dimethylphenyl)-N-[3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(2,5-dimethylphenyl)-N-[3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(2,5-dimethylphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(2,5-dimethylphenyl)-N-(3-piperidinosulfonylphenyl)acrylamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C=C(C#N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H25N3O3S/c1-17-9-10-18(2)19(13-17)14-20(16-24)23(27)25-21-7-6-8-22(15-21)30(28,29)26-11-4-3-5-12-26/h6-10,13-15H,3-5,11-12H2,1-2H3,(H,25,27)/b20-14+