1-[4-(3-chloranyl-2-methoxy-5-sulfanyl-phenyl)carbonylpiperazin-1-yl]-2-(4-fluoranyl-1H-indol-3-yl)ethane-1,2-dione

Systemtic Name: 1-[4-(3-chloranyl-2-methoxy-5-sulfanyl-phenyl)carbonylpiperazin-1-yl]-2-(4-fluoranyl-1H-indol-3-yl)ethane-1,2-dione Openeye Name: 1-[4-(3-chloro-2-methoxy-5-sulfanyl-benzoyl)piperazin-1-yl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione CAS Name: 1-[4-[(3-chloro-5-mercapto-2-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione IUPAC Name: 1-[4-(3-chloro-2-methoxy-5-sulfanylbenzoyl)piperazin-1-yl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione Traditional Name: 1-[4-(3-chloro-5-mercapto-2-methoxy-benzoyl)piperazino]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione Formula: C22H19ClFN3O4S MolecularWeight: 475.920363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F)S)Cl

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F)S)Cl

InChI

InChI=1S/C22H19ClFN3O4S/c1-31-20-13(9-12(32)10-15(20)23)21(29)26-5-7-27(8-6-26)22(30)19(28)14-11-25-17-4-2-3-16(24)18(14)17/h2-4,9-11,25,32H,5-8H2,1H3