(E)-2-cyano-3-(4-methylphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(4-methylphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[3-(1-piperidylsulfonyl)phenyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-methylphenyl)-N-[3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-methylphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-piperidinosulfonylphenyl)-3-(p-tolyl)acrylamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-17-8-10-18(11-9-17)14-19(16-23)22(26)24-20-6-5-7-21(15-20)29(27,28)25-12-3-2-4-13-25/h5-11,14-15H,2-4,12-13H2,1H3,(H,24,26)/b19-14+