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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,5-dimethyl-1-piperidyl)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(3,5-dimethyl-1-piperidinyl)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,5-dimethylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,5-dimethylpiperidino)oxazole-4-carbonitrile Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N)C

Isomeric SMILES

CC1CC(CN(C1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N)C

InChI

InChI=1S/C23H30N4O3S/c1-17-13-18(2)16-26(15-17)23-21(14-24)25-22(30-23)19-7-9-20(10-8-19)31(28,29)27-11-5-3-4-6-12-27/h7-10,17-18H,3-6,11-13,15-16H2,1-2H3