(4-fluoranyl-1-benzothiophen-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-fluoranyl-1-benzothiophen-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-fluorobenzothiophen-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-fluoro-1-benzothiophen-2-yl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-fluoro-1-benzothiophen-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-fluorobenzothiophen-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C19H16FN3O5S2 MolecularWeight: 449.475843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=CC=C3S2)F)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=CC=C3S2)F)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H16FN3O5S2/c20-14-4-3-6-16-13(14)12-17(29-16)19(24)21-8-10-22(11-9-21)30(27,28)18-7-2-1-5-15(18)23(25)26/h1-7,12H,8-11H2