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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=CN=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=CN=CC=C2)C

InChI

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