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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

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