N-[1-(1-adamantyl)propyl]-2-chloranyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-2-chloranyl-5-methylsulfonyl-benzamide Openeye Name: N-[1-(1-adamantyl)propyl]-2-chloro-5-methylsulfonyl-benzamide CAS Name: N-[1-(1-adamantyl)propyl]-2-chloro-5-methylsulfonylbenzamide IUPAC Name: N-[1-(1-adamantyl)propyl]-2-chloro-5-methylsulfonylbenzamide Traditional Name: N-[1-(1-adamantyl)propyl]-2-chloro-5-mesyl-benzamide Formula: C21H28ClNO3S MolecularWeight: 409.96992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)S(=O)(=O)C)Cl

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H28ClNO3S/c1-3-19(21-10-13-6-14(11-21)8-15(7-13)12-21)23-20(24)17-9-16(27(2,25)26)4-5-18(17)22/h4-5,9,13-15,19H,3,6-8,10-12H2,1-2H3,(H,23,24)