[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazino]-[2-(methylthio)-3-pyridyl]methanone Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H27N3O3S2/c1-21(2,3)16-7-9-17(10-8-16)29(26,27)24-14-12-23(13-15-24)20(25)18-6-5-11-22-19(18)28-4/h5-11H,12-15H2,1-4H3