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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)NC(=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/c1-4-20(2)31-29(35)26-7-5-6-8-27(26)32-28(34)19-33(38(3,36)37)25-11-9-24(10-12-25)30-16-21-13-22(17-30)15-23(14-21)18-30/h5-12,20-23H,4,13-19H2,1-3H3,(H,31,35)(H,32,34)