N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-tosyl-propionamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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(S2)CCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O3S2/c1-14-6-9-16(10-7-14)28(25,26)13-12-19(24)22-21-23-20-17-5-3-2-4-15(17)8-11-18(20)27-21/h2-7,9-10H,8,11-13H2,1H3,(H,22,23,24)