2-(furan-2-ylmethylamino)-4-[(3-methylphenyl)amino]-5-sulfamoyl-benzenesulfonic acid

Systemtic Name: 2-(furan-2-ylmethylamino)-4-[(3-methylphenyl)amino]-5-sulfamoyl-benzenesulfonic acid Openeye Name: 2-(2-furylmethylamino)-4-(3-methylanilino)-5-sulfamoyl-benzenesulfonic acid CAS Name: 2-(2-furanylmethylamino)-4-(3-methylanilino)-5-sulfamoylbenzenesulfonic acid IUPAC Name: 2-(furan-2-ylmethylamino)-4-(3-methylanilino)-5-sulfamoylbenzenesulfonic acid Traditional Name: 2-(2-furfurylamino)-4-(m-toluidino)-5-sulfamoyl-besylic acid Formula: C18H19N3O6S2 MolecularWeight: 437.48996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)O)NCC3=CC=CO3

InChI

InChI=1S/C18H19N3O6S2/c1-12-4-2-5-13(8-12)21-16-9-15(20-11-14-6-3-7-27-14)18(29(24,25)26)10-17(16)28(19,22)23/h2-10,20-21H,11H2,1H3,(H2,19,22,23)(H,24,25,26)