(4-fluoranyl-1-benzothiophen-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-fluoranyl-1-benzothiophen-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-fluorobenzothiophen-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-fluoro-1-benzothiophen-2-yl)-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-fluoro-1-benzothiophen-2-yl)-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-fluorobenzothiophen-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C20H18FN3O6S2 MolecularWeight: 479.501823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18FN3O6S2/c1-30-17-6-5-13(11-16(17)24(26)27)32(28,29)23-9-7-22(8-10-23)20(25)19-12-14-15(21)3-2-4-18(14)31-19/h2-6,11-12H,7-10H2,1H3