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

Systemtic Name: 3-[4-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]phenyl]propionic acid Formula: C18H19NO4S3 MolecularWeight: 409.54276

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C18H19NO4S3/c20-17(21)10-3-13-1-8-16(9-2-13)26(22,23)19-15-6-4-14(5-7-15)18-24-11-12-25-18/h1-2,4-9,18-19H,3,10-12H2,(H,20,21)