ethyl 4-[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-oxo-2-(p-tolyl)ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(4-methylphenyl)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(4-methylphenyl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-keto-2-(p-tolyl)ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)C3=CC=C(C=C3)C

InChI

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