2-[4-[2-(2,2-dimethylpropoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-1,3-thiazole-5-carbonitrile

Systemtic Name: 2-[4-[2-(2,2-dimethylpropoxy)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[4-[2-(2,2-dimethylpropoxy)-5-methylsulfonyl-benzoyl]piperazin-1-yl]thiazole-5-carbonitrile CAS Name: 2-[4-[[2-(2,2-dimethylpropoxy)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]-5-thiazolecarbonitrile IUPAC Name: 2-[4-[2-(2,2-dimethylpropoxy)-5-methylsulfonylbenzoyl]piperazin-1-yl]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[4-(5-mesyl-2-neopentyloxy-benzoyl)piperazino]thiazole-5-carbonitrile Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC=C(S3)C#N

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC=C(S3)C#N

InChI

InChI=1S/C21H26N4O4S2/c1-21(2,3)14-29-18-6-5-16(31(4,27)28)11-17(18)19(26)24-7-9-25(10-8-24)20-23-13-15(12-22)30-20/h5-6,11,13H,7-10,14H2,1-4H3