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

Systemtic Name: 3-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]phenyl]propionic acid Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C22H18N2O4S2/c25-21(26)14-11-15-9-12-16(13-10-15)30(27,28)24-18-6-2-1-5-17(18)22-23-19-7-3-4-8-20(19)29-22/h1-10,12-13,24H,11,14H2,(H,25,26)