phenyl 4-[2-(methoxyamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(methoxyamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(methoxyamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(methoxyamino)-1-[3-(methylthio)-1-piperazinyl]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(methoxyamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(methoxyamino)-1-[3-(methylthio)piperazino]ethyl]benzenesulfonic acid phenyl ester Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C20H27N3O4S2/c1-26-22-14-19(23-13-12-21-20(15-23)28-2)16-8-10-18(11-9-16)29(24,25)27-17-6-4-3-5-7-17/h3-11,19-22H,12-15H2,1-2H3