3-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[4-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C18H19NO4S3 MolecularWeight: 409.54276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)C3SCCS3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)C3SCCS3)C

InChI

InChI=1S/C18H19NO4S3/c1-11-9-14(17(20)21)10-16(12(11)2)26(22,23)19-15-5-3-13(4-6-15)18-24-7-8-25-18/h3-6,9-10,18-19H,7-8H2,1-2H3,(H,20,21)