2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(3-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(3-methylphenyl)methyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(m-tolylmethyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(3-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(3-methylphenyl)methyl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(3-methylbenzyl)acetamide Formula: C27H34N2O3S MolecularWeight: 466.63546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C27H34N2O3S/c1-19-4-3-5-20(10-19)17-28-26(30)18-29(33(2,31)32)25-8-6-24(7-9-25)27-14-21-11-22(15-27)13-23(12-21)16-27/h3-10,21-23H,11-18H2,1-2H3,(H,28,30)