phenyl 2-(3-bromanylpiperazin-1-yl)-5-(phenylmethyl)benzenesulfonate

Systemtic Name: phenyl 2-(3-bromanylpiperazin-1-yl)-5-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 5-benzyl-2-(3-bromopiperazin-1-yl)benzenesulfonate CAS Name: 2-(3-bromo-1-piperazinyl)-5-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-benzyl-2-(3-bromopiperazin-1-yl)benzenesulfonate Traditional Name: 5-benzyl-2-(3-bromopiperazino)benzenesulfonic acid phenyl ester Formula: C23H23BrN2O3S MolecularWeight: 487.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)Br)C2=C(C=C(C=C2)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)Br)C2=C(C=C(C=C2)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H23BrN2O3S/c24-23-17-26(14-13-25-23)21-12-11-19(15-18-7-3-1-4-8-18)16-22(21)30(27,28)29-20-9-5-2-6-10-20/h1-12,16,23,25H,13-15,17H2