phenyl 4-(3-bromanylpiperazin-1-yl)-3-phenyl-benzenesulfonate

Systemtic Name: phenyl 4-(3-bromanylpiperazin-1-yl)-3-phenyl-benzenesulfonate Openeye Name: phenyl 4-(3-bromopiperazin-1-yl)-3-phenyl-benzenesulfonate CAS Name: 4-(3-bromo-1-piperazinyl)-3-phenylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-bromopiperazin-1-yl)-3-phenylbenzenesulfonate Traditional Name: 4-(3-bromopiperazino)-3-phenyl-benzenesulfonic acid phenyl ester Formula: C22H21BrN2O3S MolecularWeight: 473.38274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)Br)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)Br)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21BrN2O3S/c23-22-16-25(14-13-24-22)21-12-11-19(15-20(21)17-7-3-1-4-8-17)29(26,27)28-18-9-5-2-6-10-18/h1-12,15,22,24H,13-14,16H2