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

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide Traditional Name: 3-besyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propionamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S2/c23-18(12-13-27(24,25)15-7-2-1-3-8-15)21-20-22-19-16-9-5-4-6-14(16)10-11-17(19)26-20/h1-9H,10-13H2,(H,21,22,23)