[1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] propanoate

Systemtic Name: [1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] propanoate Openeye Name: [1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] propanoate CAS Name: propanoic acid [1-(4-methylsulfonylphenyl)-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] propanoate Traditional Name: propionic acid [1-(4-mesylphenyl)-2-(4-phenylpiperazino)ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O4S/c1-3-22(25)28-21(18-9-11-20(12-10-18)29(2,26)27)17-23-13-15-24(16-14-23)19-7-5-4-6-8-19/h4-12,21H,3,13-17H2,1-2H3