3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]-4-methoxy-benzoic acid Openeye Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]-4-methoxy-benzoic acid CAS Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]-4-methoxybenzoic acid IUPAC Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]-4-methoxybenzoic acid Traditional Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]sulfamoyl]-4-methoxy-benzoic acid Formula: C22H18N2O5S2 MolecularWeight: 454.51872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N2O5S2/c1-29-18-11-8-15(22(25)26)13-20(18)31(27,28)24-16-9-6-14(7-10-16)12-21-23-17-4-2-3-5-19(17)30-21/h2-11,13,24H,12H2,1H3,(H,25,26)