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

Systemtic Name: 5-[2-(2-phenyl-1,3-benzothiazol-5-yl)ethylsulfamoyl]-2-propan-2-yl-benzoic acid Openeye Name: 2-isopropyl-5-[2-(2-phenyl-1,3-benzothiazol-5-yl)ethylsulfamoyl]benzoic acid CAS Name: 5-[2-(2-phenyl-1,3-benzothiazol-5-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid IUPAC Name: 5-[2-(2-phenyl-1,3-benzothiazol-5-yl)ethylsulfamoyl]-2-propan-2-ylbenzoic acid Traditional Name: 2-isopropyl-5-[2-(2-phenyl-1,3-benzothiazol-5-yl)ethylsulfamoyl]benzoic acid Formula: C25H24N2O4S2 MolecularWeight: 480.59906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=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/C25H24N2O4S2/c1-16(2)20-10-9-19(15-21(20)25(28)29)33(30,31)26-13-12-17-8-11-23-22(14-17)27-24(32-23)18-6-4-3-5-7-18/h3-11,14-16,26H,12-13H2,1-2H3,(H,28,29)