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

Systemtic Name: 1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(2-ethyl-6-methyl-phenyl)piperidine-3-carboxamide Openeye Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-ethyl-6-methyl-phenyl)piperidine-3-carboxamide CAS Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-ethyl-6-methylphenyl)-3-piperidinecarboxamide IUPAC Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide Traditional Name: 1-(2,6-dichlorobenzyl)sulfonyl-N-(2-ethyl-6-methyl-phenyl)nipecotamide Formula: C22H26Cl2N2O3S MolecularWeight: 469.42444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl)C

InChI

InChI=1S/C22H26Cl2N2O3S/c1-3-16-8-4-7-15(2)21(16)25-22(27)17-9-6-12-26(13-17)30(28,29)14-18-19(23)10-5-11-20(18)24/h4-5,7-8,10-11,17H,3,6,9,12-14H2,1-2H3,(H,25,27)