1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-methyl-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-methyl-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-methyl-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(2,6-dichlorobenzyl)sulfonyl-N-(2-methyl-3-nitro-phenyl)isonipecotamide 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)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

InChI

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