2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[[4-(1-imidazolyl)phenyl]methyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(4-imidazol-1-ylbenzyl)acetamide Formula: C29H34N4O3S MolecularWeight: 518.67026

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2C=CN=C2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2C=CN=C2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H34N4O3S/c1-37(35,36)33(19-28(34)31-18-21-2-6-26(7-3-21)32-11-10-30-20-32)27-8-4-25(5-9-27)29-15-22-12-23(16-29)14-24(13-22)17-29/h2-11,20,22-24H,12-19H2,1H3,(H,31,34)