N-[4-[2-(1-adamantyl)ethanoylamino]-2-methyl-phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[4-[2-(1-adamantyl)ethanoylamino]-2-methyl-phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methyl-phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[4-[[2-(1-adamantyl)-1-oxoethyl]amino]-2-methylphenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methylphenyl]-3-methylsulfonylbenzamide Traditional Name: N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methyl-phenyl]-3-mesyl-benzamide Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC(=CC=C5)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC(=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C27H32N2O4S/c1-17-8-22(28-25(30)16-27-13-18-9-19(14-27)11-20(10-18)15-27)6-7-24(17)29-26(31)21-4-3-5-23(12-21)34(2,32)33/h3-8,12,18-20H,9-11,13-16H2,1-2H3,(H,28,30)(H,29,31)