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

Systemtic Name: phenyl 4-[2-(bromanylamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(bromoamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(bromoamino)-1-[3-(methylthio)-1-piperazinyl]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(bromoamino)-1-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(bromoamino)-1-[3-(methylthio)piperazino]ethyl]benzenesulfonic acid phenyl ester Formula: C19H24BrN3O3S2 MolecularWeight: 486.44616

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C(CNBr)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CSC1CN(CCN1)C(CNBr)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H24BrN3O3S2/c1-27-19-14-23(12-11-21-19)18(13-22-20)15-7-9-17(10-8-15)28(24,25)26-16-5-3-2-4-6-16/h2-10,18-19,21-22H,11-14H2,1H3