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

Systemtic Name: phenyl 4-[2-(methoxyamino)-1-(3-methoxypiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(methoxyamino)-1-(3-methoxypiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(methoxyamino)-1-(3-methoxy-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(methoxyamino)-1-(3-methoxypiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(methoxyamino)-1-(3-methoxypiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCN1)C(CNOC)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1CN(CCN1)C(CNOC)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O5S/c1-26-20-15-23(13-12-21-20)19(14-22-27-2)16-8-10-18(11-9-16)29(24,25)28-17-6-4-3-5-7-17/h3-11,19-22H,12-15H2,1-2H3