5-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3,5-dimethyl-1-piperidyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-(3,5-dimethyl-1-piperidinyl)-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3,5-dimethylpiperidino)-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C21H26N4O3S MolecularWeight: 414.52114

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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)N4CCCC4)C#N)C

Isomeric SMILES

CC1CC(CN(C1)C2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C#N)C

InChI

InChI=1S/C21H26N4O3S/c1-15-11-16(2)14-24(13-15)21-19(12-22)23-20(28-21)17-5-7-18(8-6-17)29(26,27)25-9-3-4-10-25/h5-8,15-16H,3-4,9-11,13-14H2,1-2H3