2-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-N-(2-methylpropyl)benzamide

Systemtic Name: 2-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-N-(2-methylpropyl)benzamide Openeye Name: 2-[[2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetyl]amino]-N-isobutyl-benzamide CAS Name: 2-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]-N-(2-methylpropyl)benzamide IUPAC Name: 2-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methylpropyl)benzamide Traditional Name: 2-[[2-[4-(1-adamantyl)-N-mesyl-anilino]acetyl]amino]-N-isobutyl-benzamide Formula: C30H39N3O4S MolecularWeight: 537.71336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C30H39N3O4S/c1-20(2)18-31-29(35)26-6-4-5-7-27(26)32-28(34)19-33(38(3,36)37)25-10-8-24(9-11-25)30-15-21-12-22(16-30)14-23(13-21)17-30/h4-11,20-23H,12-19H2,1-3H3,(H,31,35)(H,32,34)