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

Systemtic Name: 4-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methylideneamino]benzenecarbonitrile Openeye Name: 4-[[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)pyrrol-3-yl]methyleneamino]benzonitrile CAS Name: 4-[[2,5-dimethyl-1-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-3-pyrrolyl]methylideneamino]benzonitrile IUPAC Name: 4-[[2,5-dimethyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrol-3-yl]methylideneamino]benzonitrile Traditional Name: 4-[[2,5-dimethyl-1-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)pyrrol-3-yl]methyleneamino]benzonitrile Formula: C28H31N5O3S MolecularWeight: 517.64244

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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=NC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C)C=NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H31N5O3S/c1-21-17-24(20-30-25-7-5-23(19-29)6-8-25)22(2)33(21)28-18-26(9-10-27(28)31-11-3-4-12-31)37(34,35)32-13-15-36-16-14-32/h5-10,17-18,20H,3-4,11-16H2,1-2H3