(4-methylphenyl) 2-sulfamoyl-1,3-benzothiazole-6-sulfonate

Systemtic Name: (4-methylphenyl) 2-sulfamoyl-1,3-benzothiazole-6-sulfonate Openeye Name: p-tolyl 2-sulfamoyl-1,3-benzothiazole-6-sulfonate CAS Name: 2-sulfamoyl-1,3-benzothiazole-6-sulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-sulfamoyl-1,3-benzothiazole-6-sulfonate Traditional Name: 2-sulfamoyl-1,3-benzothiazole-6-sulfonic acid p-tolyl ester Formula: C14H12N2O5S3 MolecularWeight: 384.45048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N

InChI

InChI=1S/C14H12N2O5S3/c1-9-2-4-10(5-3-9)21-24(19,20)11-6-7-12-13(8-11)22-14(16-12)23(15,17)18/h2-8H,1H3,(H2,15,17,18)