[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C23H28N2O5S/c1-4-19-6-8-20(9-7-19)23(27)30-16-22(26)24-11-13-25(14-12-24)31(28,29)21-10-5-17(2)15-18(21)3/h5-10,15H,4,11-14,16H2,1-3H3