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

Systemtic Name: (5-fluoranyl-1-benzothiophen-2-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-fluorobenzothiophen-2-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-fluoro-1-benzothiophen-2-yl)-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-fluoro-1-benzothiophen-2-yl)-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-fluorobenzothiophen-2-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C20H18FN3O5S2 MolecularWeight: 463.502423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C20H18FN3O5S2/c1-13-2-4-16(24(26)27)12-19(13)31(28,29)23-8-6-22(7-9-23)20(25)18-11-14-10-15(21)3-5-17(14)30-18/h2-5,10-12H,6-9H2,1H3