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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(C#N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-17-8-3-4-9-18(17)14-19(16-23)22(26)24-20-10-7-11-21(15-20)29(27,28)25-12-5-2-6-13-25/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,24,26)/b19-14+