N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-propyl-benzenesulfonamide

Systemtic Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-propyl-benzenesulfonamide Openeye Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-propyl-benzenesulfonamide CAS Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-propylbenzenesulfonamide IUPAC Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-propylbenzenesulfonamide Traditional Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-propyl-benzenesulfonamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)CCC4=C3C=CC(=C4)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)CCC4=C3C=CC(=C4)OC

InChI

InChI=1S/C21H22N2O3S2/c1-3-4-14-5-9-17(10-6-14)28(24,25)23-21-22-20-18-11-8-16(26-2)13-15(18)7-12-19(20)27-21/h5-6,8-11,13H,3-4,7,12H2,1-2H3,(H,22,23)