(2-methylsulfanylphenyl)-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3-piperidyl]methanone CAS Name: [2-(methylthio)phenyl]-[1-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-3-piperidinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3-piperidyl]methanone Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C19H25N3O3S2/c1-13-19(14(2)21(3)20-13)27(24,25)22-11-7-8-15(12-22)18(23)16-9-5-6-10-17(16)26-4/h5-6,9-10,15H,7-8,11-12H2,1-4H3