phenyl 2-[4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-[2-(2-methoxyethylamino)-2-oxo-ethyl]piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-[2-keto-2-(2-methoxyethylamino)ethyl]piperazino]ethanesulfonic acid phenyl ester Formula: C17H27N3O5S MolecularWeight: 385.47838

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CN1CCN(CC1)CCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

COCCNC(=O)CN1CCN(CC1)CCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C17H27N3O5S/c1-24-13-7-18-17(21)15-20-10-8-19(9-11-20)12-14-26(22,23)25-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3,(H,18,21)