2-(furan-2-ylmethylamino)-4-[methyl(phenyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-[methyl(phenyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 2-(2-furylmethylamino)-4-(N-methylanilino)-5-sulfamoyl-benzoic acid CAS Name: 2-(2-furanylmethylamino)-4-(N-methylanilino)-5-sulfamoylbenzoic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-(N-methylanilino)-5-sulfamoylbenzoic acid Traditional Name: 2-(2-furfurylamino)-4-(N-methylanilino)-5-sulfamoyl-benzoic acid Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=C(C=C(C(=C2)NCC3=CC=CO3)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CN(C1=CC=CC=C1)C2=C(C=C(C(=C2)NCC3=CC=CO3)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C19H19N3O5S/c1-22(13-6-3-2-4-7-13)17-11-16(21-12-14-8-5-9-27-14)15(19(23)24)10-18(17)28(20,25)26/h2-11,21H,12H2,1H3,(H,23,24)(H2,20,25,26)