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

Systemtic Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methyl-5-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methyl-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methyl-5-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dichlorobenzyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)isonipecotamide Formula: C20H21Cl2N3O5S MolecularWeight: 486.36884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=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/C20H21Cl2N3O5S/c1-13-2-4-16(25(27)28)11-19(13)23-20(26)15-6-8-24(9-7-15)31(29,30)12-14-3-5-17(21)18(22)10-14/h2-5,10-11,15H,6-9,12H2,1H3,(H,23,26)