[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[(2,3-dimethylphenyl)amino]benzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[(2,3-dimethylphenyl)amino]benzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-(2,3-dimethylanilino)benzoate CAS Name: 2-(2,3-dimethylanilino)benzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate Traditional Name: 2-(2,3-dimethylanilino)benzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C22H27N3O5S/c1-16-7-6-10-19(17(16)2)23-20-9-5-4-8-18(20)22(27)30-15-21(26)24-11-13-25(14-12-24)31(3,28)29/h4-10,23H,11-15H2,1-3H3