1-[5-(3-fluorophenyl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide

Systemtic Name: 1-[5-(3-fluorophenyl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide Openeye Name: 1-[[5-(3-fluorophenyl)-2-thienyl]sulfonyl]-4-methylsulfonyl-N-tetrahydropyran-2-yloxy-piperazine-2-carboxamide CAS Name: 1-[[5-(3-fluorophenyl)-2-thiophenyl]sulfonyl]-4-methylsulfonyl-N-(2-oxanyloxy)-2-piperazinecarboxamide IUPAC Name: 1-[5-(3-fluorophenyl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide Traditional Name: 1-[[5-(3-fluorophenyl)-2-thienyl]sulfonyl]-4-mesyl-N-tetrahydropyran-2-yloxy-piperazine-2-carboxamide Formula: C21H26FN3O7S3 MolecularWeight: 547.640443

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(S3)C4=CC(=CC=C4)F

Isomeric SMILES

CS(=O)(=O)N1CCN(C(C1)C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(S3)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H26FN3O7S3/c1-34(27,28)24-10-11-25(17(14-24)21(26)23-32-19-7-2-3-12-31-19)35(29,30)20-9-8-18(33-20)15-5-4-6-16(22)13-15/h4-6,8-9,13,17,19H,2-3,7,10-12,14H2,1H3,(H,23,26)