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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6S/c24-20(21-10-17-8-18(11-21)13-22(25,12-17)15-21)29-14-16-2-1-3-19(9-16)30(26,27)23-4-6-28-7-5-23/h1-3,9,17-18,25H,4-8,10-15H2