3-chloranyl-5-methylsulfonyl-4-phenylazanyl-benzoic acid

Systemtic Name: 3-chloranyl-5-methylsulfonyl-4-phenylazanyl-benzoic acid Openeye Name: 4-anilino-3-chloro-5-methylsulfonyl-benzoic acid CAS Name: 4-anilino-3-chloro-5-methylsulfonylbenzoic acid IUPAC Name: 4-anilino-3-chloro-5-methylsulfonylbenzoic acid Traditional Name: 4-anilino-3-chloro-5-mesyl-benzoic acid Formula: C14H12ClNO4S MolecularWeight: 325.76738

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=CC(=C1)C(=O)O)Cl)NC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C(=CC(=C1)C(=O)O)Cl)NC2=CC=CC=C2

InChI

InChI=1S/C14H12ClNO4S/c1-21(19,20)12-8-9(14(17)18)7-11(15)13(12)16-10-5-3-2-4-6-10/h2-8,16H,1H3,(H,17,18)