[2-(phenylmethyl)sulfinylcyclohexyl] 3-(diethylamino)propanoate

Systemtic Name: [2-(phenylmethyl)sulfinylcyclohexyl] 3-(diethylamino)propanoate Openeye Name: (2-benzylsulfinylcyclohexyl) 3-(diethylamino)propanoate CAS Name: 3-(diethylamino)propanoic acid [2-(phenylmethyl)sulfinylcyclohexyl] ester IUPAC Name: (2-benzylsulfinylcyclohexyl) 3-(diethylamino)propanoate Traditional Name: 3-(diethylamino)propionic acid (2-benzylsulfinylcyclohexyl) ester Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO3S/c1-3-21(4-2)15-14-20(22)24-18-12-8-9-13-19(18)25(23)16-17-10-6-5-7-11-17/h5-7,10-11,18-19H,3-4,8-9,12-16H2,1-2H3