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

Systemtic Name: 4-chloranyl-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid Formula: C21H15ClN2O4S2 MolecularWeight: 458.9378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)C(=O)O)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)C(=O)O)Cl

InChI

InChI=1S/C21H15ClN2O4S2/c1-12-2-9-17-18(10-12)29-20(23-17)13-3-6-15(7-4-13)24-30(27,28)19-11-14(21(25)26)5-8-16(19)22/h2-11,24H,1H3,(H,25,26)