N-(1-adamantyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(1-adamantyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(1-adamantyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(1-adamantyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(1-adamantyl)-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(1-adamantyl)-1-(3,4-dichlorobenzyl)sulfonyl-isonipecotamide Formula: C23H30Cl2N2O3S MolecularWeight: 485.4669

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)CC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)CC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C23H30Cl2N2O3S/c24-20-2-1-15(10-21(20)25)14-31(29,30)27-5-3-19(4-6-27)22(28)26-23-11-16-7-17(12-23)9-18(8-16)13-23/h1-2,10,16-19H,3-9,11-14H2,(H,26,28)