ethyl N-[3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylcarbamoyl]phenyl]carbamate

Systemtic Name: ethyl N-[3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylcarbamoyl]phenyl]carbamate Openeye Name: ethyl N-[3-[2-[4-(2-pyridyl)piperazin-1-yl]sulfonylethylcarbamoyl]phenyl]carbamate CAS Name: N-[3-[oxo-[2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]ethylamino]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylcarbamoyl]phenyl]carbamate Traditional Name: N-[3-[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=CC(=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

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

InChI

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