1-bromanyl-2-(6-chloranylpyridin-2-yl)butan-2-ol; N-methyl-4-methylsulfinyl-benzenesulfonamide

Systemtic Name: 1-bromanyl-2-(6-chloranylpyridin-2-yl)butan-2-ol; N-methyl-4-methylsulfinyl-benzenesulfonamide Openeye Name: 1-bromo-2-(6-chloro-2-pyridyl)butan-2-ol; N-methyl-4-methylsulfinyl-benzenesulfonamide CAS Name: 1-bromo-2-(6-chloro-2-pyridinyl)-2-butanol; N-methyl-4-methylsulfinylbenzenesulfonamide IUPAC Name: 1-bromo-2-(6-chloropyridin-2-yl)butan-2-ol; N-methyl-4-methylsulfinylbenzenesulfonamide Traditional Name: 1-bromo-2-(6-chloro-2-pyridyl)butan-2-ol; N-methyl-4-methylsulfinyl-benzenesulfonamide Formula: C17H22BrClN2O4S2 MolecularWeight: 497.85458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CBr)(C1=NC(=CC=C1)Cl)O.CNS(=O)(=O)C1=CC=C(C=C1)S(=O)C

Isomeric SMILES

CCC(CBr)(C1=NC(=CC=C1)Cl)O.CNS(=O)(=O)C1=CC=C(C=C1)S(=O)C

InChI

InChI=1S/C9H11BrClNO.C8H11NO3S2/c1-2-9(13,6-10)7-4-3-5-8(11)12-7;1-9-14(11,12)8-5-3-7(4-6-8)13(2)10/h3-5,13H,2,6H2,1H3;3-6,9H,1-2H3