1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(2-methyl-5-nitro-phenyl)piperidine-3-carboxamide

Systemtic Name: 1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(2-methyl-5-nitro-phenyl)piperidine-3-carboxamide Openeye Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-methyl-5-nitro-phenyl)piperidine-3-carboxamide CAS Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-methyl-5-nitrophenyl)-3-piperidinecarboxamide IUPAC Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide Traditional Name: 1-(2,6-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=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

InChI

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