2-cyano-N-(furan-2-ylmethyl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: 2-cyano-N-(furan-2-ylmethyl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: 2-cyano-N-(2-furylmethyl)-3-[3-(3-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: 2-cyano-N-(2-furanylmethyl)-3-[3-[3-(4-morpholinylsulfonyl)phenyl]-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: 2-cyano-N-(furan-2-ylmethyl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: 2-cyano-N-(2-furfuryl)-3-[3-(3-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C28H25N5O5S MolecularWeight: 543.5936

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NCC4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C(=O)NCC4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N5O5S/c29-18-22(28(34)30-19-25-9-5-13-38-25)16-23-20-33(24-7-2-1-3-8-24)31-27(23)21-6-4-10-26(17-21)39(35,36)32-11-14-37-15-12-32/h1-10,13,16-17,20H,11-12,14-15,19H2,(H,30,34)