4-[1-azanyl-1-(3-methylimidazol-4-yl)ethyl]-2-(3-morpholin-4-ylsulfonylphenoxy)benzenecarbonitrile

Systemtic Name: 4-[1-azanyl-1-(3-methylimidazol-4-yl)ethyl]-2-(3-morpholin-4-ylsulfonylphenoxy)benzenecarbonitrile Openeye Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-(3-morpholinosulfonylphenoxy)benzonitrile CAS Name: 4-[1-amino-1-(3-methyl-4-imidazolyl)ethyl]-2-[3-(4-morpholinylsulfonyl)phenoxy]benzonitrile IUPAC Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-(3-morpholin-4-ylsulfonylphenoxy)benzonitrile Traditional Name: 4-[1-amino-1-(3-methylimidazol-4-yl)ethyl]-2-(3-morpholinosulfonylphenoxy)benzonitrile Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C#N)OC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)(C4=CN=CN4C)N

Isomeric SMILES

CC(C1=CC(=C(C=C1)C#N)OC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)(C4=CN=CN4C)N

InChI

InChI=1S/C23H25N5O4S/c1-23(25,22-15-26-16-27(22)2)18-7-6-17(14-24)21(12-18)32-19-4-3-5-20(13-19)33(29,30)28-8-10-31-11-9-28/h3-7,12-13,15-16H,8-11,25H2,1-2H3