3-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)-4,5-dimethyl-benzoic acid

Systemtic Name: 3-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)-4,5-dimethyl-benzoic acid Openeye Name: 3-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)-4,5-dimethyl-benzoic acid CAS Name: 3-(2-benzo[e][1,3]benzothiazolylsulfamoyl)-4,5-dimethylbenzoic acid IUPAC Name: 3-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)-4,5-dimethylbenzoic acid Traditional Name: 3-(benzo[e][1,3]benzothiazol-2-ylsulfamoyl)-4,5-dimethyl-benzoic acid Formula: C20H16N2O4S2 MolecularWeight: 412.48204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43)C

InChI

InChI=1S/C20H16N2O4S2/c1-11-9-14(19(23)24)10-17(12(11)2)28(25,26)22-20-21-18-15-6-4-3-5-13(15)7-8-16(18)27-20/h3-10H,1-2H3,(H,21,22)(H,23,24)