5-(azepan-1-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(azepan-1-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-[4-(4-methylpiperidino)sulfonylphenyl]oxazole-4-carbonitrile Formula: C22H28N4O3S MolecularWeight: 428.54772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCCCCC4)C#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCCCCC4)C#N

InChI

InChI=1S/C22H28N4O3S/c1-17-10-14-26(15-11-17)30(27,28)19-8-6-18(7-9-19)21-24-20(16-23)22(29-21)25-12-4-2-3-5-13-25/h6-9,17H,2-5,10-15H2,1H3