N-bromanyl-2-[4-(phenylmethyl)phenyl]-2-[3-(phenylsulfonyl)piperazin-1-yl]ethanamine

Systemtic Name: N-bromanyl-2-[4-(phenylmethyl)phenyl]-2-[3-(phenylsulfonyl)piperazin-1-yl]ethanamine Openeye Name: 2-[3-(benzenesulfonyl)piperazin-1-yl]-2-(4-benzylphenyl)-N-bromo-ethanamine CAS Name: 2-[3-(benzenesulfonyl)-1-piperazinyl]-N-bromo-2-[4-(phenylmethyl)phenyl]ethanamine IUPAC Name: 2-[3-(benzenesulfonyl)piperazin-1-yl]-2-(4-benzylphenyl)-N-bromoethanamine Traditional Name: [2-(4-benzylphenyl)-2-(3-besylpiperazino)ethyl]-bromo-amine Formula: C25H28BrN3O2S MolecularWeight: 514.47772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)C2=CC=CC=C2)C(CNBr)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)C2=CC=CC=C2)C(CNBr)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28BrN3O2S/c26-28-18-24(22-13-11-21(12-14-22)17-20-7-3-1-4-8-20)29-16-15-27-25(19-29)32(30,31)23-9-5-2-6-10-23/h1-14,24-25,27-28H,15-19H2