(E)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C22H21FN4O4S MolecularWeight: 456.489943

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C=CC3=CN(N=C3)C4=CC=CC=C4)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H21FN4O4S/c23-20-8-7-18(14-21(20)32(29,30)26-10-12-31-13-11-26)25-22(28)9-6-17-15-24-27(16-17)19-4-2-1-3-5-19/h1-9,14-16H,10-13H2,(H,25,28)/b9-6+