phenyl 4-[1-(3-bromanylpiperazin-1-yl)-2-(ethoxyamino)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[1-(3-bromanylpiperazin-1-yl)-2-(ethoxyamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-bromopiperazin-1-yl)-2-(ethoxyamino)ethyl]benzenesulfonate CAS Name: 4-[1-(3-bromo-1-piperazinyl)-2-(ethoxyamino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-bromopiperazin-1-yl)-2-(ethoxyamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-bromopiperazino)-2-(ethoxyamino)ethyl]benzenesulfonic acid phenyl ester Formula: C20H26BrN3O4S MolecularWeight: 484.40714

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Descriptors Computed from Structure

Canonical SMILES:

CCONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)Br

Isomeric SMILES

CCONCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)Br

InChI

InChI=1S/C20H26BrN3O4S/c1-2-27-23-14-19(24-13-12-22-20(21)15-24)16-8-10-18(11-9-16)29(25,26)28-17-6-4-3-5-7-17/h3-11,19-20,22-23H,2,12-15H2,1H3