[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C18H22N4O5S2 MolecularWeight: 438.52108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C

InChI

InChI=1S/C18H22N4O5S2/c1-12-9-13(2)22-18(21-12)28-11-17(24)27-10-16(23)20-8-7-14-3-5-15(6-4-14)29(19,25)26/h3-6,9H,7-8,10-11H2,1-2H3,(H,20,23)(H2,19,25,26)