2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(3-pyridylmethyl)acetamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CN=CC=C1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CN=CC=C1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31N3O3S/c1-32(30,31)28(17-24(29)27-16-18-3-2-8-26-15-18)23-6-4-22(5-7-23)25-12-19-9-20(13-25)11-21(10-19)14-25/h2-8,15,19-21H,9-14,16-17H2,1H3,(H,27,29)