[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)carbonylbenzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-(2,5-dimethylbenzoyl)benzoate CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate Traditional Name: 2-(2,5-dimethylbenzoyl)benzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C23H26N2O6S/c1-16-8-9-17(2)20(14-16)22(27)18-6-4-5-7-19(18)23(28)31-15-21(26)24-10-12-25(13-11-24)32(3,29)30/h4-9,14H,10-13,15H2,1-3H3