4-chloranyl-2-(furan-2-ylmethylamino)-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-methylsulfonyl-benzoic acid Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-methylsulfonyl-benzoic acid CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-methylsulfonylbenzoic acid IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-methylsulfonylbenzoic acid Traditional Name: 4-chloro-2-(2-furfurylamino)-5-mesyl-benzoic acid Formula: C13H12ClNO5S MolecularWeight: 329.75608

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=CO2)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=CO2)Cl

InChI

InChI=1S/C13H12ClNO5S/c1-21(18,19)12-5-9(13(16)17)11(6-10(12)14)15-7-8-3-2-4-20-8/h2-6,15H,7H2,1H3,(H,16,17)