2-ethyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 2-ethyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid Openeye Name: 2-ethyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid CAS Name: 2-ethyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 2-ethyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid Traditional Name: 2-ethyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]sulfamoyl]benzoic acid Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C(=O)O

Isomeric SMILES

CCC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C(=O)O

InChI

InChI=1S/C23H20N2O4S2/c1-3-15-7-10-18(13-19(15)23(26)27)31(28,29)25-17-8-5-16(6-9-17)22-24-20-11-4-14(2)12-21(20)30-22/h4-13,25H,3H2,1-2H3,(H,26,27)