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

Systemtic Name: [2-(phenylmethyl)sulfinylcyclohexyl] 3-(dimethylamino)propanoate Openeye Name: (2-benzylsulfinylcyclohexyl) 3-(dimethylamino)propanoate CAS Name: 3-(dimethylamino)propanoic acid [2-(phenylmethyl)sulfinylcyclohexyl] ester IUPAC Name: (2-benzylsulfinylcyclohexyl) 3-(dimethylamino)propanoate Traditional Name: 3-(dimethylamino)propionic acid (2-benzylsulfinylcyclohexyl) ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3S/c1-19(2)13-12-18(20)22-16-10-6-7-11-17(16)23(21)14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3