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

Systemtic Name: 5-(azepan-1-yl)-2-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-[4-(azepan-1-ylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-[4-(1-azepanylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-[4-(azepan-1-ylsulfonyl)phenyl]oxazole-4-carbonitrile Formula: C22H28N4O3S MolecularWeight: 428.54772

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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)N4CCCCCC4)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

InChI

InChI=1S/C22H28N4O3S/c23-17-20-22(25-13-5-1-2-6-14-25)29-21(24-20)18-9-11-19(12-10-18)30(27,28)26-15-7-3-4-8-16-26/h9-12H,1-8,13-16H2