[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-fluoranyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-fluoranyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-fluorobenzothiophen-2-yl)methanone CAS Name: [4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-(5-fluoro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(2,5-dimethoxyphenyl)sulfonylpiperazino]-(5-fluorobenzothiophen-2-yl)methanone Formula: C21H21FN2O5S2 MolecularWeight: 464.530243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C21H21FN2O5S2/c1-28-16-4-5-17(29-2)20(13-16)31(26,27)24-9-7-23(8-10-24)21(25)19-12-14-11-15(22)3-6-18(14)30-19/h3-6,11-13H,7-10H2,1-2H3