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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NC4CCCCC4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NC4CCCCC4)C#N

InChI

InChI=1S/C22H28N4O3S/c23-16-20-22(24-18-8-4-3-5-9-18)29-21(25-20)17-10-12-19(13-11-17)30(27,28)26-14-6-1-2-7-15-26/h10-13,18,24H,1-9,14-15H2