(E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-N-pyridin-2-yl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-N-pyridin-2-yl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-N-(2-pyridyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-N-(2-pyridinyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-N-pyridin-2-ylprop-2-enamide Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-N-(2-pyridyl)acrylamide Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C=C(C#N)C(=O)NC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)/C=C(\C#N)/C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C25H25N5O4S/c1-18-14-20(15-21(17-26)25(31)28-24-8-3-4-9-27-24)19(2)30(18)22-6-5-7-23(16-22)35(32,33)29-10-12-34-13-11-29/h3-9,14-16H,10-13H2,1-2H3,(H,27,28,31)/b21-15+