azanium 2-(furan-2-ylmethylamino)-4-[methyl(phenyl)amino]-5-sulfamoyl-benzenesulfonate

Systemtic Name: azanium 2-(furan-2-ylmethylamino)-4-[methyl(phenyl)amino]-5-sulfamoyl-benzenesulfonate Openeye Name: ammonium 2-(2-furylmethylamino)-4-(N-methylanilino)-5-sulfamoyl-benzenesulfonate CAS Name: ammonium 2-(2-furanylmethylamino)-4-(N-methylanilino)-5-sulfamoylbenzenesulfonate IUPAC Name: azanium 2-(furan-2-ylmethylamino)-4-(N-methylanilino)-5-sulfamoylbenzenesulfonate Traditional Name: ammonium 2-(2-furfurylamino)-4-(N-methylanilino)-5-sulfamoyl-besylate Formula: C18H22N4O6S2 MolecularWeight: 454.52048

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[NH4+]

Isomeric SMILES

CN(C1=CC=CC=C1)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[NH4+]

InChI

InChI=1S/C18H19N3O6S2.H3N/c1-21(13-6-3-2-4-7-13)16-10-15(20-12-14-8-5-9-27-14)17(29(24,25)26)11-18(16)28(19,22)23;/h2-11,20H,12H2,1H3,(H2,19,22,23)(H,24,25,26);1H3