N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propionamide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H20N2O3S2/c1-13-10-14(2)18-16(11-13)25-19(21-18)20-17(22)8-9-26(23,24)12-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21,22)