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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3S2/c24-19(12-13-28(25,26)14-15-6-2-1-3-7-15)22-21-23-20-17-9-5-4-8-16(17)10-11-18(20)27-21/h1-9H,10-14H2,(H,22,23,24)