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

Systemtic Name: phenyl 4-[1-(3-bromanylpiperazin-1-yl)-2-[(phenylmethyl)amino]ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(benzylamino)-1-(3-bromopiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[1-(3-bromo-1-piperazinyl)-2-[(phenylmethyl)amino]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzylamino)-1-(3-bromopiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(benzylamino)-1-(3-bromopiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C25H28BrN3O3S MolecularWeight: 530.47712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)Br)C(CNCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)Br)C(CNCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H28BrN3O3S/c26-25-19-29(16-15-28-25)24(18-27-17-20-7-3-1-4-8-20)21-11-13-23(14-12-21)33(30,31)32-22-9-5-2-6-10-22/h1-14,24-25,27-28H,15-19H2