N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-tosyl-propionamide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(C=CC(=C3S2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(C=CC(=C3S2)C)C

InChI

InChI=1S/C19H20N2O3S2/c1-12-4-8-15(9-5-12)26(23,24)11-10-16(22)20-19-21-17-13(2)6-7-14(3)18(17)25-19/h4-9H,10-11H2,1-3H3,(H,20,21,22)