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

Systemtic Name: 2-[[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylidene]propanedinitrile Openeye Name: 2-[[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methylene]propanedinitrile CAS Name: 2-[[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]methylidene]propanedinitrile IUPAC Name: 2-[[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylidene]propanedinitrile Traditional Name: 2-[[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methylene]malononitrile Formula: C20H20N4O3S MolecularWeight: 396.4628

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-15-10-18(11-17(13-21)14-22)16(2)24(15)19-4-3-5-20(12-19)28(25,26)23-6-8-27-9-7-23/h3-5,10-12H,6-9H2,1-2H3