2-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylidene]propanedinitrile Openeye Name: 2-[[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylene]propanedinitrile CAS Name: 2-[[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolyl]methylidene]propanedinitrile IUPAC Name: 2-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylidene]propanedinitrile Traditional Name: 2-[[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-3-yl]methylene]malononitrile Formula: C24H27N5O3S MolecularWeight: 465.56788

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O3S/c1-18-13-21(14-20(16-25)17-26)19(2)29(18)24-15-22(5-6-23(24)27-7-3-4-8-27)33(30,31)28-9-11-32-12-10-28/h5-6,13-15H,3-4,7-12H2,1-2H3