[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(3-fluorophenyl)sulfonylpiperazino]-(5-nitrobenzothiophen-2-yl)methanone Formula: C19H16FN3O5S2 MolecularWeight: 449.475843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)F

InChI

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