2-ethyl-5-[2-(2-phenyl-1,3-benzothiazol-5-yl)ethylsulfamoyl]benzoic acid

Systemtic Name: 2-ethyl-5-[2-(2-phenyl-1,3-benzothiazol-5-yl)ethylsulfamoyl]benzoic acid Openeye Name: 2-ethyl-5-[2-(2-phenyl-1,3-benzothiazol-5-yl)ethylsulfamoyl]benzoic acid CAS Name: 2-ethyl-5-[2-(2-phenyl-1,3-benzothiazol-5-yl)ethylsulfamoyl]benzoic acid IUPAC Name: 2-ethyl-5-[2-(2-phenyl-1,3-benzothiazol-5-yl)ethylsulfamoyl]benzoic acid Traditional Name: 2-ethyl-5-[2-(2-phenyl-1,3-benzothiazol-5-yl)ethylsulfamoyl]benzoic acid Formula: C24H22N2O4S2 MolecularWeight: 466.57248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C=C2)SC(=N3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC3=C(C=C2)SC(=N3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H22N2O4S2/c1-2-17-9-10-19(15-20(17)24(27)28)32(29,30)25-13-12-16-8-11-22-21(14-16)26-23(31-22)18-6-4-3-5-7-18/h3-11,14-15,25H,2,12-13H2,1H3,(H,27,28)