2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acetamide Formula: C23H31BrN2O5S MolecularWeight: 527.47164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H31BrN2O5S/c1-30-20-3-2-18(32(28,29)26-4-6-31-7-5-26)9-19(20)25-21(27)14-22-10-16-8-17(11-22)13-23(24,12-16)15-22/h2-3,9,16-17H,4-8,10-15H2,1H3,(H,25,27)/t16-,17+,22?,23?