sodium 2-(furan-2-ylmethylamino)-4-[(3-methylphenyl)amino]-5-sulfamoyl-benzenesulfonate

Systemtic Name: sodium 2-(furan-2-ylmethylamino)-4-[(3-methylphenyl)amino]-5-sulfamoyl-benzenesulfonate Openeye Name: sodium 2-(2-furylmethylamino)-4-(3-methylanilino)-5-sulfamoyl-benzenesulfonate CAS Name: sodium 2-(2-furanylmethylamino)-4-(3-methylanilino)-5-sulfamoylbenzenesulfonate IUPAC Name: sodium 2-(furan-2-ylmethylamino)-4-(3-methylanilino)-5-sulfamoylbenzenesulfonate Traditional Name: sodium 2-(2-furfurylamino)-4-(m-toluidino)-5-sulfamoyl-besylate Formula: C18H18N3NaO6S2 MolecularWeight: 459.47179

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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.[Na+]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)[O-])NCC3=CC=CO3.[Na+]

InChI

InChI=1S/C18H19N3O6S2.Na/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);/q;+1/p-1