2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC2=C(C=C1)OCCO2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC2=C(C=C1)OCCO2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H32N2O5S/c1-35(31,32)29(17-26(30)28-22-4-7-24-25(13-22)34-9-8-33-24)23-5-2-21(3-6-23)27-14-18-10-19(15-27)12-20(11-18)16-27/h2-7,13,18-20H,8-12,14-17H2,1H3,(H,28,30)