[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate CAS Name: 2-[2-(1-cyclohexenyl)ethylamino]benzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate Traditional Name: 2-[2-(cyclohexen-1-yl)ethylamino]benzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NCCC3=CCCCC3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC=C2NCCC3=CCCCC3

InChI

InChI=1S/C22H31N3O5S/c1-31(28,29)25-15-13-24(14-16-25)21(26)17-30-22(27)19-9-5-6-10-20(19)23-12-11-18-7-3-2-4-8-18/h5-7,9-10,23H,2-4,8,11-17H2,1H3