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

Systemtic Name: 2-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]-N-cyclohexyl-benzamide Openeye Name: 2-[[2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetyl]amino]-N-cyclohexyl-benzamide CAS Name: 2-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]-N-cyclohexylbenzamide IUPAC Name: 2-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]amino]-N-cyclohexylbenzamide Traditional Name: 2-[[2-[4-(1-adamantyl)-N-mesyl-anilino]acetyl]amino]-N-cyclohexyl-benzamide Formula: C32H41N3O4S MolecularWeight: 563.75064

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NC2CCCCC2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NC2CCCCC2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H41N3O4S/c1-40(38,39)35(27-13-11-25(12-14-27)32-18-22-15-23(19-32)17-24(16-22)20-32)21-30(36)34-29-10-6-5-9-28(29)31(37)33-26-7-3-2-4-8-26/h5-6,9-14,22-24,26H,2-4,7-8,15-21H2,1H3,(H,33,37)(H,34,36)