(E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]-N-prop-2-enyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-2-cyano-3-[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolyl]-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-2-cyano-3-[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-3-yl]acrylamide Formula: C27H33N5O4S MolecularWeight: 523.64702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)C=C(C#N)C(=O)NCC=C

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)/C=C(\C#N)/C(=O)NCC=C

InChI

InChI=1S/C27H33N5O4S/c1-4-9-29-27(33)23(19-28)17-22-16-20(2)32(21(22)3)26-18-24(7-8-25(26)30-10-5-6-11-30)37(34,35)31-12-14-36-15-13-31/h4,7-8,16-18H,1,5-6,9-15H2,2-3H3,(H,29,33)/b23-17+