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

Systemtic Name: 2-(furan-2-ylmethylamino)-4-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 2-(2-furylmethylamino)-4-methyl-5-methylsulfonyl-benzoic acid CAS Name: 2-(2-furanylmethylamino)-4-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-methyl-5-methylsulfonylbenzoic acid Traditional Name: 2-(2-furfurylamino)-5-mesyl-4-methyl-benzoic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)NCC2=CC=CO2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C(=C1)NCC2=CC=CO2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C14H15NO5S/c1-9-6-12(15-8-10-4-3-5-20-10)11(14(16)17)7-13(9)21(2,18)19/h3-7,15H,8H2,1-2H3,(H,16,17)