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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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