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

Systemtic Name: 1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(3-methyl-1-phenyl-butyl)piperidine-3-carboxamide Openeye Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(3-methyl-1-phenyl-butyl)piperidine-3-carboxamide CAS Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(3-methyl-1-phenylbutyl)-3-piperidinecarboxamide IUPAC Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide Traditional Name: 1-(2,6-dichlorobenzyl)sulfonyl-N-(3-methyl-1-phenyl-butyl)nipecotamide Formula: C24H30Cl2N2O3S MolecularWeight: 497.4776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C24H30Cl2N2O3S/c1-17(2)14-23(18-8-4-3-5-9-18)27-24(29)19-10-7-13-28(15-19)32(30,31)16-20-21(25)11-6-12-22(20)26/h3-6,8-9,11-12,17,19,23H,7,10,13-16H2,1-2H3,(H,27,29)