ethanedioic acid; 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfonylethyl]pyridine

Systemtic Name: ethanedioic acid; 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfonylethyl]pyridine Openeye Name: 5-[2-(4-isopropylphenyl)sulfonylethyl]-2-methyl-pyridine; oxalic acid CAS Name: 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfonylethyl]pyridine; oxalic acid IUPAC Name: 2-methyl-5-[2-(4-propan-2-ylphenyl)sulfonylethyl]pyridine; oxalic acid Traditional Name: 2-methyl-5-(2-p-cumenylsulfonylethyl)pyridine; oxalic acid Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)C(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)C(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21NO2S.C2H2O4/c1-13(2)16-6-8-17(9-7-16)21(19,20)11-10-15-5-4-14(3)18-12-15;3-1(4)2(5)6/h4-9,12-13H,10-11H2,1-3H3;(H,3,4)(H,5,6)