methyl 4-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-[4-(2-pyridyl)piperazin-1-yl]sulfonylethylcarbamoyl]benzoate CAS Name: 4-[oxo-[2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylcarbamoyl]benzoate Traditional Name: 4-[2-[4-(2-pyridyl)piperazino]sulfonylethylcarbamoyl]benzoic acid methyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H24N4O5S/c1-29-20(26)17-7-5-16(6-8-17)19(25)22-10-15-30(27,28)24-13-11-23(12-14-24)18-4-2-3-9-21-18/h2-9H,10-15H2,1H3,(H,22,25)