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

Systemtic Name: (2R)-1-[5-(1,3-benzodioxol-5-yl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide Openeye Name: (2R)-1-[[5-(1,3-benzodioxol-5-yl)-2-thienyl]sulfonyl]-4-methylsulfonyl-N-tetrahydropyran-2-yloxy-piperazine-2-carboxamide CAS Name: (2R)-1-[[5-(1,3-benzodioxol-5-yl)-2-thiophenyl]sulfonyl]-4-methylsulfonyl-N-(2-oxanyloxy)-2-piperazinecarboxamide IUPAC Name: (2R)-1-[5-(1,3-benzodioxol-5-yl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide Traditional Name: (2R)-1-[[5-(1,3-benzodioxol-5-yl)-2-thienyl]sulfonyl]-4-mesyl-N-tetrahydropyran-2-yloxy-piperazine-2-carboxamide Formula: C22H27N3O9S3 MolecularWeight: 573.65948

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)N1CCN([C@H](C1)C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(S3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H27N3O9S3/c1-36(27,28)24-9-10-25(16(13-24)22(26)23-34-20-4-2-3-11-31-20)37(29,30)21-8-7-19(35-21)15-5-6-17-18(12-15)33-14-32-17/h5-8,12,16,20H,2-4,9-11,13-14H2,1H3,(H,23,26)/t16-,20?/m1/s1