1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxy-5-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dichlorobenzyl)sulfonyl-N-(2-methoxy-5-nitro-phenyl)isonipecotamide Formula: C20H21Cl2N3O6S MolecularWeight: 502.36824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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