(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-phenyl-3-[3-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2-oxolanylmethyl)-3-[1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[1-phenyl-3-(3-piperidinosulfonylphenyl)pyrazol-4-yl]-N-(tetrahydrofurfuryl)acrylamide Formula: C29H31N5O4S MolecularWeight: 545.65254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NCC4CCCO4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C(\C#N)/C(=O)NCC4CCCO4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O4S/c30-19-23(29(35)31-20-26-12-8-16-38-26)17-24-21-34(25-10-3-1-4-11-25)32-28(24)22-9-7-13-27(18-22)39(36,37)33-14-5-2-6-15-33/h1,3-4,7,9-11,13,17-18,21,26H,2,5-6,8,12,14-16,20H2,(H,31,35)/b23-17+