5-[[(2-carboxy-5-chloranyl-4-methylsulfonyl-phenyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(2-carboxy-5-chloranyl-4-methylsulfonyl-phenyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-carboxy-5-chloro-4-methylsulfonyl-anilino)methyl]furan-2-carboxylic acid CAS Name: 5-[(2-carboxy-5-chloro-4-methylsulfonylanilino)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-carboxy-5-chloro-4-methylsulfonylanilino)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2-carboxy-5-chloro-4-mesyl-anilino)methyl]-2-furoic acid Formula: C14H12ClNO7S MolecularWeight: 373.76558

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=C(O2)C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=C(O2)C(=O)O)Cl

InChI

InChI=1S/C14H12ClNO7S/c1-24(21,22)12-4-8(13(17)18)10(5-9(12)15)16-6-7-2-3-11(23-7)14(19)20/h2-5,16H,6H2,1H3,(H,17,18)(H,19,20)