3-[[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzenesulfonic acid

Systemtic Name: 3-[[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzenesulfonic acid Openeye Name: 3-[[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzenesulfonic acid CAS Name: 3-[[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzenesulfonic acid IUPAC Name: 3-[[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzenesulfonic acid Traditional Name: 3-[[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]besylic acid Formula: C14H13N3O5S3 MolecularWeight: 399.46512

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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

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=N/NS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C14H13N3O5S3/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)/b15-14+