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

Systemtic Name: N-[4-(1-adamantyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C31H40N2O3S MolecularWeight: 520.7259

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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)CCCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)CCCC6=CC=CC=C6

InChI

InChI=1S/C31H40N2O3S/c34-30(27-12-14-33(15-13-27)37(35,36)16-4-7-23-5-2-1-3-6-23)32-29-10-8-28(9-11-29)31-20-24-17-25(21-31)19-26(18-24)22-31/h1-3,5-6,8-11,24-27H,4,7,12-22H2,(H,32,34)