(4-fluoranyl-1-benzothiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-fluoranyl-1-benzothiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-fluorobenzothiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-fluoro-1-benzothiophen-2-yl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-fluoro-1-benzothiophen-2-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-fluorobenzothiophen-2-yl)-[4-(3-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/c20-16-5-2-6-17-15(16)12-18(29-17)19(24)21-7-9-22(10-8-21)30(27,28)14-4-1-3-13(11-14)23(25)26/h1-6,11-12H,7-10H2