(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)acrylamide Formula: C23H25FN4O4S MolecularWeight: 472.532403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)NC3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)NC3=CC(=C(C=C3)F)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H25FN4O4S/c1-15-11-17(16(2)28(15)20-4-5-20)12-18(14-25)23(29)26-19-3-6-21(24)22(13-19)33(30,31)27-7-9-32-10-8-27/h3,6,11-13,20H,4-5,7-10H2,1-2H3,(H,26,29)/b18-12+