3,4-dimethyl-5-(pyridin-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 3,4-dimethyl-5-(pyridin-2-ylmethylsulfonyl)benzoic acid Openeye Name: 3,4-dimethyl-5-(2-pyridylmethylsulfonyl)benzoic acid CAS Name: 3,4-dimethyl-5-(2-pyridinylmethylsulfonyl)benzoic acid IUPAC Name: 3,4-dimethyl-5-(pyridin-2-ylmethylsulfonyl)benzoic acid Traditional Name: 3,4-dimethyl-5-(2-pyridylmethylsulfonyl)benzoic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=N2)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC2=CC=CC=N2)C

InChI

InChI=1S/C15H15NO4S/c1-10-7-12(15(17)18)8-14(11(10)2)21(19,20)9-13-5-3-4-6-16-13/h3-8H,9H2,1-2H3,(H,17,18)