sodium 2-(furan-2-ylmethylamino)-4-[methyl-(4-methylphenyl)amino]-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 2-(furan-2-ylmethylamino)-4-[methyl-(4-methylphenyl)amino]-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 4-(N,4-dimethylanilino)-2-(2-furylmethylamino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 4-(N,4-dimethylanilino)-2-(2-furanylmethylamino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 4-(N,4-dimethylanilino)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 4-(N,4-dimethylanilino)-2-(2-furfurylamino)-5-sulfamoyl-besylate Formula: C19H20N3NaO6S2 MolecularWeight: 473.49837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N(C)C2=C(C=C(C(=C2)NCC3=CC=CO3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

InChI

InChI=1S/C19H21N3O6S2.Na/c1-13-5-7-14(8-6-13)22(2)17-10-16(21-12-15-4-3-9-28-15)18(30(25,26)27)11-19(17)29(20,23)24;/h3-11,21H,12H2,1-2H3,(H2,20,23,24)(H,25,26,27);/q;+1/p-1