N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-besyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C18H18N2O5S2 MolecularWeight: 406.47592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O5S2/c1-24-13-8-9-14(25-2)17-16(13)20-18(26-17)19-15(21)10-11-27(22,23)12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,19,20,21)