N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NCC(C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NCC(C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H18N2O4S/c24-18(14-7-9-16(10-8-14)23(26)27)12-22-21(25)19-11-15-6-5-13-3-1-2-4-17(13)20(15)28-19/h1-4,7-11,18,24H,5-6,12H2,(H,22,25)