sodium 3-[[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzenesulfonate

Systemtic Name: sodium 3-[[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzenesulfonate Openeye Name: sodium 3-[[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzenesulfonate CAS Name: sodium 3-[[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzenesulfonate IUPAC Name: sodium 3-[[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzenesulfonate Traditional Name: sodium 3-[[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]besylate Formula: C14H12N3NaO5S3 MolecularWeight: 421.44695

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NNS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=N/NS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H13N3O5S3.Na/c1-17-12-7-2-3-8-13(12)23-14(17)15-16-24(18,19)10-5-4-6-11(9-10)25(20,21)22;/h2-9,16H,1H3,(H,20,21,22);/q;+1/p-1/b15-14+;