(E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]-N-(3-ethoxypropyl)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-(3-ethoxypropyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]-N-(3-ethoxypropyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolyl]-N-(3-ethoxypropyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]-N-(3-ethoxypropyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-3-yl]-N-(3-ethoxypropyl)acrylamide Formula: C29H39N5O5S MolecularWeight: 569.71546

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(=CC1=C(N(C(=C1)C)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)C#N

Isomeric SMILES

CCOCCCNC(=O)/C(=C/C1=C(N(C(=C1)C)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)/C#N

InChI

InChI=1S/C29H39N5O5S/c1-4-38-15-7-10-31-29(35)25(21-30)19-24-18-22(2)34(23(24)3)28-20-26(8-9-27(28)32-11-5-6-12-32)40(36,37)33-13-16-39-17-14-33/h8-9,18-20H,4-7,10-17H2,1-3H3,(H,31,35)/b25-19+