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

Systemtic Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2-methylphenoxy)ethanoate Openeye Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 2-(2-methylphenoxy)acetate CAS Name: 2-(2-methylphenoxy)acetic acid [2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(2-methylphenoxy)acetate Traditional Name: 2-(2-methylphenoxy)acetic acid [2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)COC3=CC=CC=C3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)COC3=CC=CC=C3C)C

InChI

InChI=1S/C23H28N2O6S/c1-17-8-9-21(19(3)14-17)32(28,29)25-12-10-24(11-13-25)22(26)15-31-23(27)16-30-20-7-5-4-6-18(20)2/h4-9,14H,10-13,15-16H2,1-3H3