phenyl 2-[methyl-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]amino]ethanesulfonate

Systemtic Name: phenyl 2-[methyl-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]amino]ethanesulfonate Openeye Name: phenyl 2-[[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-methyl-amino]ethanesulfonate CAS Name: 2-[methyl-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]ethanesulfonate Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]-methyl-amino]ethanesulfonic acid phenyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4S/c1-23(16-17-30(27,28)29-21-10-6-3-7-11-21)19-22(26)25-14-12-24(13-15-25)18-20-8-4-2-5-9-20/h2-11H,12-19H2,1H3