[2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]-[4-(5-methylsulfonyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: [2-(2-methylpropoxy)-5-methylsulfonyl-phenyl]-[4-(5-methylsulfonyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2-isobutoxy-5-methylsulfonyl-phenyl)-[4-(5-methylsulfonylthiazol-2-yl)piperazin-1-yl]methanone CAS Name: [2-(2-methylpropoxy)-5-methylsulfonylphenyl]-[4-(5-methylsulfonyl-2-thiazolyl)-1-piperazinyl]methanone IUPAC Name: [2-(2-methylpropoxy)-5-methylsulfonylphenyl]-[4-(5-methylsulfonyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2-isobutoxy-5-mesyl-phenyl)-[4-(5-mesylthiazol-2-yl)piperazino]methanone Formula: C20H27N3O6S3 MolecularWeight: 501.63988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O6S3/c1-14(2)13-29-17-6-5-15(31(3,25)26)11-16(17)19(24)22-7-9-23(10-8-22)20-21-12-18(30-20)32(4,27)28/h5-6,11-12,14H,7-10,13H2,1-4H3