2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(3-piperidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(3-piperidin-1-ylpropyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[3-(1-piperidyl)propyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[3-(1-piperidinyl)propyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(3-piperidin-1-ylpropyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(3-piperidinopropyl)acetamide Formula: C27H41N3O3S MolecularWeight: 487.69774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCCC1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCCC1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H41N3O3S/c1-34(32,33)30(20-26(31)28-10-5-13-29-11-3-2-4-12-29)25-8-6-24(7-9-25)27-17-21-14-22(18-27)16-23(15-21)19-27/h6-9,21-23H,2-5,10-20H2,1H3,(H,28,31)