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

Systemtic Name: 4-methylsulfonyl-1-[5-(4-nitrophenyl)thiophen-2-yl]sulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide Openeye Name: 4-methylsulfonyl-1-[[5-(4-nitrophenyl)-2-thienyl]sulfonyl]-N-tetrahydropyran-2-yloxy-piperazine-2-carboxamide CAS Name: 4-methylsulfonyl-1-[[5-(4-nitrophenyl)-2-thiophenyl]sulfonyl]-N-(2-oxanyloxy)-2-piperazinecarboxamide IUPAC Name: 4-methylsulfonyl-1-[5-(4-nitrophenyl)thiophen-2-yl]sulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide Traditional Name: 4-mesyl-1-[[5-(4-nitrophenyl)-2-thienyl]sulfonyl]-N-tetrahydropyran-2-yloxy-piperazine-2-carboxamide Formula: C21H26N4O9S3 MolecularWeight: 574.64754

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(C(C1)C(=O)NOC2CCCCO2)S(=O)(=O)C3=CC=C(S3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O9S3/c1-36(29,30)23-11-12-24(17(14-23)21(26)22-34-19-4-2-3-13-33-19)37(31,32)20-10-9-18(35-20)15-5-7-16(8-6-15)25(27)28/h5-10,17,19H,2-4,11-14H2,1H3,(H,22,26)