N-(2-adamantyl)-4-chloranyl-3-methylsulfonyl-benzamide

Systemtic Name: N-(2-adamantyl)-4-chloranyl-3-methylsulfonyl-benzamide Openeye Name: N-(2-adamantyl)-4-chloro-3-methylsulfonyl-benzamide CAS Name: N-(2-adamantyl)-4-chloro-3-methylsulfonylbenzamide IUPAC Name: N-(2-adamantyl)-4-chloro-3-methylsulfonylbenzamide Traditional Name: N-(2-adamantyl)-4-chloro-3-mesyl-benzamide Formula: C18H22ClNO3S MolecularWeight: 367.89018

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2C3CC4CC(C3)CC2C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2C3CC4CC(C3)CC2C4)Cl

InChI

InChI=1S/C18H22ClNO3S/c1-24(22,23)16-9-12(2-3-15(16)19)18(21)20-17-13-5-10-4-11(7-13)8-14(17)6-10/h2-3,9-11,13-14,17H,4-8H2,1H3,(H,20,21)