phenyl 2-(3-oxidanylidenepiperazin-1-yl)ethanesulfonate

Systemtic Name: phenyl 2-(3-oxidanylidenepiperazin-1-yl)ethanesulfonate Openeye Name: phenyl 2-(3-oxopiperazin-1-yl)ethanesulfonate CAS Name: 2-(3-oxo-1-piperazinyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-oxopiperazin-1-yl)ethanesulfonate Traditional Name: 2-(3-ketopiperazino)ethanesulfonic acid phenyl ester Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

C1CN(CC(=O)N1)CCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O4S/c15-12-10-14(7-6-13-12)8-9-19(16,17)18-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,15)