[2-[(4-tert-butylphenyl)methylsulfonyl]cyclohexyl] 3-(diethylamino)propanoate

Systemtic Name: [2-[(4-tert-butylphenyl)methylsulfonyl]cyclohexyl] 3-(diethylamino)propanoate Openeye Name: [2-[(4-tert-butylphenyl)methylsulfonyl]cyclohexyl] 3-(diethylamino)propanoate CAS Name: 3-(diethylamino)propanoic acid [2-[(4-tert-butylphenyl)methylsulfonyl]cyclohexyl] ester IUPAC Name: [2-[(4-tert-butylphenyl)methylsulfonyl]cyclohexyl] 3-(diethylamino)propanoate Traditional Name: 3-(diethylamino)propionic acid [2-(4-tert-butylbenzyl)sulfonylcyclohexyl] ester Formula: C24H39NO4S MolecularWeight: 437.63576

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)OC1CCCCC1S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCN(CC)CCC(=O)OC1CCCCC1S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H39NO4S/c1-6-25(7-2)17-16-23(26)29-21-10-8-9-11-22(21)30(27,28)18-19-12-14-20(15-13-19)24(3,4)5/h12-15,21-22H,6-11,16-18H2,1-5H3