[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H26N2O5S/c1-16-13-17(2)21(18(3)14-16)22(26)29-15-20(25)23-9-11-24(12-10-23)30(27,28)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3