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

Systemtic Name: (5-fluoranyl-1-benzothiophen-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-fluorobenzothiophen-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-fluoro-1-benzothiophen-2-yl)-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-fluoro-1-benzothiophen-2-yl)-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-fluorobenzothiophen-2-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C20H18FN3O6S2 MolecularWeight: 479.501823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F)[N+](=O)[O-]

InChI

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