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

Systemtic Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methyl-5-nitro-phenyl)piperidine-3-carboxamide Openeye Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methyl-5-nitro-phenyl)piperidine-3-carboxamide CAS Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methyl-5-nitrophenyl)-3-piperidinecarboxamide IUPAC Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide Traditional Name: 1-(3,4-dichlorobenzyl)sulfonyl-N-(2-methyl-5-nitro-phenyl)nipecotamide 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)C2CCCN(C2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O5S/c1-13-4-6-16(25(27)28)10-19(13)23-20(26)15-3-2-8-24(11-15)31(29,30)12-14-5-7-17(21)18(22)9-14/h4-7,9-10,15H,2-3,8,11-12H2,1H3,(H,23,26)