3-[4-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]phenyl]propionic acid Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C23H20N2O4S2/c26-23(27)14-9-16-7-12-19(13-8-16)31(28,29)25-18-10-5-17(6-11-18)15-22-24-20-3-1-2-4-21(20)30-22/h1-8,10-13,25H,9,14-15H2,(H,26,27)