phenyl 2-[4-(phenylsulfonyl)piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(phenylsulfonyl)piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanesulfonate Traditional Name: 2-(4-besylpiperazino)ethanesulfonic acid phenyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N2O5S2/c21-26(22,25-17-7-3-1-4-8-17)16-15-19-11-13-20(14-12-19)27(23,24)18-9-5-2-6-10-18/h1-10H,11-16H2