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

Systemtic Name: 3-[[3-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[3-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[3-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[3-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[3-(1,3-dithiolan-2-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid Formula: C17H17NO4S3 MolecularWeight: 395.51618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S3/c1-11-5-6-12(16(19)20)10-15(11)25(21,22)18-14-4-2-3-13(9-14)17-23-7-8-24-17/h2-6,9-10,17-18H,7-8H2,1H3,(H,19,20)