(E)-2-cyano-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-piperidinosulfonylphenyl)acrylamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C=C(C#N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1)C)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H23N5O3S/c1-14-19(15(2)24-23-14)11-16(13-21)20(26)22-17-7-6-8-18(12-17)29(27,28)25-9-4-3-5-10-25/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,22,26)(H,23,24)/b16-11+