(3-morpholin-4-ylsulfonylphenyl)methyl adamantane-2-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl adamantane-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3C4CC5CC(C4)CC3C5

InChI

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