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

Systemtic Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(3-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-[3-(1-imidazolyl)propyl]-3-[3-[3-(4-morpholinylsulfonyl)phenyl]-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(3-morpholinosulfonylphenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C29H29N7O4S MolecularWeight: 571.65006

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

Isomeric SMILES

C1COCCN1S(=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/C29H29N7O4S/c30-20-24(29(37)32-10-5-12-34-13-11-31-22-34)18-25-21-36(26-7-2-1-3-8-26)33-28(25)23-6-4-9-27(19-23)41(38,39)35-14-16-40-17-15-35/h1-4,6-9,11,13,18-19,21-22H,5,10,12,14-17H2,(H,32,37)/b24-18+