4-chloranyl-3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]benzoic acid Formula: C15H11ClN2O4S3 MolecularWeight: 414.90684

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C15H11ClN2O4S3/c1-23-15-17-11-5-3-9(7-12(11)24-15)18-25(21,22)13-6-8(14(19)20)2-4-10(13)16/h2-7,18H,1H3,(H,19,20)