3-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)adamantane-1-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)adamantane-1-carboxamide Openeye Name: 3-(4-methoxyphenyl)-N-(1-methylsulfonyl-4-piperidyl)adamantane-1-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-(1-methylsulfonyl-4-piperidinyl)-1-adamantanecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)adamantane-1-carboxamide Traditional Name: N-(1-mesyl-4-piperidyl)-3-(4-methoxyphenyl)adamantane-1-carboxamide Formula: C24H34N2O4S MolecularWeight: 446.60276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5CCN(CC5)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5CCN(CC5)S(=O)(=O)C

InChI

InChI=1S/C24H34N2O4S/c1-30-21-5-3-19(4-6-21)23-12-17-11-18(13-23)15-24(14-17,16-23)22(27)25-20-7-9-26(10-8-20)31(2,28)29/h3-6,17-18,20H,7-16H2,1-2H3,(H,25,27)