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

Systemtic Name: [1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] ethanoate Openeye Name: [1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate CAS Name: acetic acid [1-(4-methylsulfonylphenyl)-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [1-(4-methylsulfonylphenyl)-2-(4-phenylpiperazin-1-yl)ethyl] acetate Traditional Name: acetic acid [1-(4-mesylphenyl)-2-(4-phenylpiperazino)ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-17(24)27-21(18-8-10-20(11-9-18)28(2,25)26)16-22-12-14-23(15-13-22)19-6-4-3-5-7-19/h3-11,21H,12-16H2,1-2H3