5-chloranyl-2-methoxy-4-(3-methylsulfonylpropanoylamino)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-(3-methylsulfonylpropanoylamino)benzoic acid Openeye Name: 5-chloro-2-methoxy-4-(3-methylsulfonylpropanoylamino)benzoic acid CAS Name: 5-chloro-2-methoxy-4-[(3-methylsulfonyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-(3-methylsulfonylpropanoylamino)benzoic acid Traditional Name: 5-chloro-4-(3-mesylpropanoylamino)-2-methoxy-benzoic acid Formula: C12H14ClNO6S MolecularWeight: 335.76066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CCS(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CCS(=O)(=O)C

InChI

InChI=1S/C12H14ClNO6S/c1-20-10-6-9(8(13)5-7(10)12(16)17)14-11(15)3-4-21(2,18)19/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17)