2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2,6-dimethylmorpholin-4-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2,6-dimethylmorpholin-4-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2,6-dimethylmorpholin-4-yl)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(2,6-dimethyl-4-morpholinyl)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2,6-dimethylmorpholin-4-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2,6-dimethylmorpholino)oxazole-4-carbonitrile Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

Isomeric SMILES

CC1CN(CC(O1)C)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

InChI

InChI=1S/C22H28N4O4S/c1-16-14-25(15-17(2)29-16)22-20(13-23)24-21(30-22)18-7-9-19(10-8-18)31(27,28)26-11-5-3-4-6-12-26/h7-10,16-17H,3-6,11-12,14-15H2,1-2H3