(5S,7R)-3-acetamido-N-(2-chloranyl-5-methylsulfonyl-phenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-(2-chloranyl-5-methylsulfonyl-phenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-(2-chloro-5-methylsulfonyl-phenyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-(2-chloro-5-methylsulfonylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-(2-chloro-5-methylsulfonylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-(2-chloro-5-mesyl-phenyl)adamantane-1-carboxamide Formula: C20H25ClN2O4S MolecularWeight: 424.9415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)C)Cl

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NC4=C(C=CC(=C4)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H25ClN2O4S/c1-12(24)23-20-9-13-5-14(10-20)8-19(7-13,11-20)18(25)22-17-6-15(28(2,26)27)3-4-16(17)21/h3-4,6,13-14H,5,7-11H2,1-2H3,(H,22,25)(H,23,24)/t13-,14+,19?,20?