(3-morpholin-4-ylsulfonylphenyl)methyl adamantane-1-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl adamantane-1-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H29NO5S MolecularWeight: 419.53436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29NO5S/c24-21(22-12-17-8-18(13-22)10-19(9-17)14-22)28-15-16-2-1-3-20(11-16)29(25,26)23-4-6-27-7-5-23/h1-3,11,17-19H,4-10,12-15H2