N-[4-(1-adamantyl)phenyl]-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-1-[(3-bromophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-1-(3-bromobenzyl)sulfonyl-isonipecotamide Formula: C29H35BrN2O3S MolecularWeight: 571.5688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)CC6=CC(=CC=C6)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)CC6=CC(=CC=C6)Br

InChI

InChI=1S/C29H35BrN2O3S/c30-26-3-1-2-20(15-26)19-36(34,35)32-10-8-24(9-11-32)28(33)31-27-6-4-25(5-7-27)29-16-21-12-22(17-29)14-23(13-21)18-29/h1-7,15,21-24H,8-14,16-19H2,(H,31,33)