[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O5S/c1-17-8-9-20(14-18(17)2)31(28,29)23-15-22(27)30-16-21(26)25-12-10-24(11-13-25)19-6-4-3-5-7-19/h3-9,14,23H,10-13,15-16H2,1-2H3