(3-morpholin-4-ylsulfonylphenyl)methyl 2-(1-adamantyl)ethanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(1-adamantyl)ethanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid (3-morpholinosulfonylbenzyl) ester Formula: C23H31NO5S MolecularWeight: 433.56094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31NO5S/c25-22(15-23-12-18-8-19(13-23)10-20(9-18)14-23)29-16-17-2-1-3-21(11-17)30(26,27)24-4-6-28-7-5-24/h1-3,11,18-20H,4-10,12-16H2