N-[2-(1-adamantyl)ethyl]-2-methylsulfonyl-benzamide

Systemtic Name: N-[2-(1-adamantyl)ethyl]-2-methylsulfonyl-benzamide Openeye Name: N-[2-(1-adamantyl)ethyl]-2-methylsulfonyl-benzamide CAS Name: N-[2-(1-adamantyl)ethyl]-2-methylsulfonylbenzamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-2-methylsulfonylbenzamide Traditional Name: N-[2-(1-adamantyl)ethyl]-2-mesyl-benzamide Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)NCCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)NCCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27NO3S/c1-25(23,24)18-5-3-2-4-17(18)19(22)21-7-6-20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3,(H,21,22)