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

Systemtic Name: 1-[5-(3-methoxyphenyl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide Openeye Name: 1-[[5-(3-methoxyphenyl)-2-thienyl]sulfonyl]-4-methylsulfonyl-N-tetrahydropyran-2-yloxy-piperazine-2-carboxamide CAS Name: 1-[[5-(3-methoxyphenyl)-2-thiophenyl]sulfonyl]-4-methylsulfonyl-N-(2-oxanyloxy)-2-piperazinecarboxamide IUPAC Name: 1-[5-(3-methoxyphenyl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide Traditional Name: 4-mesyl-1-[[5-(3-methoxyphenyl)-2-thienyl]sulfonyl]-N-tetrahydropyran-2-yloxy-piperazine-2-carboxamide Formula: C22H29N3O8S3 MolecularWeight: 559.67596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O8S3/c1-31-17-7-5-6-16(14-17)19-9-10-21(34-19)36(29,30)25-12-11-24(35(2,27)28)15-18(25)22(26)23-33-20-8-3-4-13-32-20/h5-7,9-10,14,18,20H,3-4,8,11-13,15H2,1-2H3,(H,23,26)