2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[[4-(1-piperidyl)phenyl]methyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[[4-(1-piperidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(4-piperidinobenzyl)acetamide Formula: C31H41N3O3S MolecularWeight: 535.74054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCCC2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCCC2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H41N3O3S/c1-38(36,37)34(22-30(35)32-21-23-5-9-28(10-6-23)33-13-3-2-4-14-33)29-11-7-27(8-12-29)31-18-24-15-25(19-31)17-26(16-24)20-31/h5-12,24-26H,2-4,13-22H2,1H3,(H,32,35)