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

Systemtic Name: 5-(azepan-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-[4-(1-piperidylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-[4-(1-piperidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-(4-piperidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C21H26N4O3S MolecularWeight: 414.52114

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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)N4CCCCC4)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C#N

InChI

InChI=1S/C21H26N4O3S/c22-16-19-21(24-12-4-1-2-5-13-24)28-20(23-19)17-8-10-18(11-9-17)29(26,27)25-14-6-3-7-15-25/h8-11H,1-7,12-15H2