3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Openeye Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid CAS Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Traditional Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)propane-1-sulfonic acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)O

Isomeric SMILES

CC1N(C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)O

InChI

InChI=1S/C12H17NO4S2/c1-9-13(6-3-7-19(14,15)16)11-8-10(17-2)4-5-12(11)18-9/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,15,16)