sodium 4-[methyl(phenyl)amino]-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate

Systemtic Name: sodium 4-[methyl(phenyl)amino]-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Openeye Name: sodium 4-(N-methylanilino)-5-sulfamoyl-2-(2-thienylmethylamino)benzenesulfonate CAS Name: sodium 4-(N-methylanilino)-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate IUPAC Name: sodium 4-(N-methylanilino)-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzenesulfonate Traditional Name: sodium 4-(N-methylanilino)-5-sulfamoyl-2-(2-thenylamino)besylate Formula: C18H18N3NaO5S3 MolecularWeight: 475.53739

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=C(C=C(C(=C2)NCC3=CC=CS3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

Isomeric SMILES

CN(C1=CC=CC=C1)C2=C(C=C(C(=C2)NCC3=CC=CS3)S(=O)(=O)[O-])S(=O)(=O)N.[Na+]

InChI

InChI=1S/C18H19N3O5S3.Na/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);/q;+1/p-1