2-(1-adamantyl)-N-[2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[(4-methylsulfonylphenyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[(4-methylsulfonylphenyl)methyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-(4-mesylbenzyl)-5-isoquinolyl]acetamide Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H32N2O4S/c1-36(34,35)23-7-5-19(6-8-23)18-31-10-9-24-25(28(31)33)3-2-4-26(24)30-27(32)17-29-14-20-11-21(15-29)13-22(12-20)16-29/h2-10,20-22H,11-18H2,1H3,(H,30,32)