4-methyl-3-(pyridin-3-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-methyl-3-(pyridin-3-ylmethylsulfonyl)benzoic acid Openeye Name: 4-methyl-3-(3-pyridylmethylsulfonyl)benzoic acid CAS Name: 4-methyl-3-(3-pyridinylmethylsulfonyl)benzoic acid IUPAC Name: 4-methyl-3-(pyridin-3-ylmethylsulfonyl)benzoic acid Traditional Name: 4-methyl-3-(3-pyridylmethylsulfonyl)benzoic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CN=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CN=CC=C2

InChI

InChI=1S/C14H13NO4S/c1-10-4-5-12(14(16)17)7-13(10)20(18,19)9-11-3-2-6-15-8-11/h2-8H,9H2,1H3,(H,16,17)