2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(1,3-benzodioxol-5-ylmethyl)ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-piperonyl-acetamide Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

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