(3-morpholin-4-ylsulfonylphenyl)methyl 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-tert-butylcyclohexane-1-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H33NO5S/c1-22(2,3)19-9-7-18(8-10-19)21(24)28-16-17-5-4-6-20(15-17)29(25,26)23-11-13-27-14-12-23/h4-6,15,18-19H,7-14,16H2,1-3H3