[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(methylsulfinylmethyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(methylsulfinylmethyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)CS(=O)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)CS(=O)C

InChI

InChI=1S/C22H26N2O4S/c1-17(28-22(26)19-8-6-7-18(15-19)16-29(2)27)21(25)24-13-11-23(12-14-24)20-9-4-3-5-10-20/h3-10,15,17H,11-14,16H2,1-2H3