2-morpholin-4-ylcarbonyl-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: 2-morpholin-4-ylcarbonyl-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: 2-(morpholine-4-carbonyl)-3-[1-phenyl-3-[3-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-[4-morpholinyl(oxo)methyl]-3-[1-phenyl-3-[3-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(morpholine-4-carbonyl)-3-[1-phenyl-3-(3-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-(morpholine-4-carbonyl)-3-[1-phenyl-3-(3-piperidinosulfonylphenyl)pyrazol-4-yl]acrylonitrile Formula: C28H29N5O4S MolecularWeight: 531.62596

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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)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N5O4S/c29-20-23(28(34)31-14-16-37-17-15-31)18-24-21-33(25-9-3-1-4-10-25)30-27(24)22-8-7-11-26(19-22)38(35,36)32-12-5-2-6-13-32/h1,3-4,7-11,18-19,21H,2,5-6,12-17H2