1-[(2,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxy-5-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(2,4-dichlorobenzyl)sulfonyl-N-(2-methoxy-5-nitro-phenyl)isonipecotamide Formula: C20H21Cl2N3O6S MolecularWeight: 502.36824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O6S/c1-31-19-5-4-16(25(27)28)11-18(19)23-20(26)13-6-8-24(9-7-13)32(29,30)12-14-2-3-15(21)10-17(14)22/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,26)