(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 3-(methylsulfinylmethyl)benzoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) 3-(methylsulfinylmethyl)benzoate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CC1=CC=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CS(=O)CC1=CC=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C22H25NO4S/c1-28(26)16-17-9-8-12-19(15-17)22(25)27-20(18-10-4-2-5-11-18)21(24)23-13-6-3-7-14-23/h2,4-5,8-12,15,20H,3,6-7,13-14,16H2,1H3