N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)butanamide Traditional Name: 4-besyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)butyramide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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