[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C21H26N4O5S2/c1-15-11-16(2)23-21(22-15)31-14-20(27)30-13-19(26)24-17-7-6-8-18(12-17)32(28,29)25-9-4-3-5-10-25/h6-8,11-12H,3-5,9-10,13-14H2,1-2H3,(H,24,26)