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

Systemtic Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-[3-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-[3-(1-imidazolyl)propyl]-3-[1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[1-phenyl-3-(3-piperidinosulfonylphenyl)pyrazol-4-yl]acrylamide Formula: C30H31N7O3S MolecularWeight: 569.67724

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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)NCCCN4C=CN=C4)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)NCCCN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N7O3S/c31-21-25(30(38)33-13-8-15-35-18-14-32-23-35)19-26-22-37(27-10-3-1-4-11-27)34-29(26)24-9-7-12-28(20-24)41(39,40)36-16-5-2-6-17-36/h1,3-4,7,9-12,14,18-20,22-23H,2,5-6,8,13,15-17H2,(H,33,38)/b25-19+