5-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-(4-morpholinosulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-[4-(4-morpholinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-(4-morpholinosulfonylphenyl)oxazole-4-carbonitrile Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C#N

InChI

InChI=1S/C20H24N4O4S/c21-15-18-20(23-9-3-1-2-4-10-23)28-19(22-18)16-5-7-17(8-6-16)29(25,26)24-11-13-27-14-12-24/h5-8H,1-4,9-14H2