ethyl N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylcarbamoyl]phenyl]carbamate

Systemtic Name: ethyl N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylcarbamoyl]phenyl]carbamate Openeye Name: ethyl N-[4-[2-[4-(2-pyridyl)piperazin-1-yl]sulfonylethylcarbamoyl]phenyl]carbamate CAS Name: N-[4-[oxo-[2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]ethylamino]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylcarbamoyl]phenyl]carbamate Traditional Name: N-[4-[2-[4-(2-pyridyl)piperazino]sulfonylethylcarbamoyl]phenyl]carbamic acid ethyl ester Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H27N5O5S/c1-2-31-21(28)24-18-8-6-17(7-9-18)20(27)23-11-16-32(29,30)26-14-12-25(13-15-26)19-5-3-4-10-22-19/h3-10H,2,11-16H2,1H3,(H,23,27)(H,24,28)