[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-[(3,5-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]acetic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]acetic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C)C

InChI

InChI=1S/C18H25N3O6S/c1-13-8-14(2)10-15(9-13)18(24)19-11-17(23)27-12-16(22)20-4-6-21(7-5-20)28(3,25)26/h8-10H,4-7,11-12H2,1-3H3,(H,19,24)