(2R)-1-[5-(3-fluoranyl-4-methoxy-phenyl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide

Systemtic Name: (2R)-1-[5-(3-fluoranyl-4-methoxy-phenyl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide Openeye Name: (2R)-1-[[5-(3-fluoro-4-methoxy-phenyl)-2-thienyl]sulfonyl]-4-methylsulfonyl-N-tetrahydropyran-2-yloxy-piperazine-2-carboxamide CAS Name: (2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-2-thiophenyl]sulfonyl]-4-methylsulfonyl-N-(2-oxanyloxy)-2-piperazinecarboxamide IUPAC Name: (2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide Traditional Name: (2R)-1-[[5-(3-fluoro-4-methoxy-phenyl)-2-thienyl]sulfonyl]-4-mesyl-N-tetrahydropyran-2-yloxy-piperazine-2-carboxamide Formula: C22H28FN3O8S3 MolecularWeight: 577.666423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3C(=O)NOC4CCCCO4)S(=O)(=O)C)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(C[C@@H]3C(=O)NOC4CCCCO4)S(=O)(=O)C)F

InChI

InChI=1S/C22H28FN3O8S3/c1-32-18-7-6-15(13-16(18)23)19-8-9-21(35-19)37(30,31)26-11-10-25(36(2,28)29)14-17(26)22(27)24-34-20-5-3-4-12-33-20/h6-9,13,17,20H,3-5,10-12,14H2,1-2H3,(H,24,27)/t17-,20?/m1/s1