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

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide Formula: C23H31BrN2O4S MolecularWeight: 511.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C23H31BrN2O4S/c1-16-2-3-19(9-20(16)31(28,29)26-4-6-30-7-5-26)25-21(27)14-22-10-17-8-18(11-22)13-23(24,12-17)15-22/h2-3,9,17-18H,4-8,10-15H2,1H3,(H,25,27)/t17-,18+,22?,23?