N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanamide

Systemtic Name: N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanamide Openeye Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(5-morpholinosulfonyl-2-thienyl)methyl]acetamide CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[[5-(4-morpholinylsulfonyl)-2-thiophenyl]methyl]acetamide IUPAC Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(5-morpholinosulfonyl-2-thienyl)methyl]acetamide Formula: C21H30N2O5S2 MolecularWeight: 454.6033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(S2)CNC(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(S2)CNC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C21H30N2O5S2/c24-18(12-20-8-15-7-16(9-20)11-21(25,10-15)14-20)22-13-17-1-2-19(29-17)30(26,27)23-3-5-28-6-4-23/h1-2,15-16,25H,3-14H2,(H,22,24)/t15-,16+,20?,21?