phenyl N-[2-(3-bromanylpiperazin-1-yl)-2-[4-(phenylmethyl)phenyl]ethyl]sulfamate

Systemtic Name: phenyl N-[2-(3-bromanylpiperazin-1-yl)-2-[4-(phenylmethyl)phenyl]ethyl]sulfamate Openeye Name: phenyl N-[2-(4-benzylphenyl)-2-(3-bromopiperazin-1-yl)ethyl]sulfamate CAS Name: N-[2-(3-bromo-1-piperazinyl)-2-[4-(phenylmethyl)phenyl]ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(4-benzylphenyl)-2-(3-bromopiperazin-1-yl)ethyl]sulfamate Traditional Name: N-[2-(4-benzylphenyl)-2-(3-bromopiperazino)ethyl]sulfamic acid phenyl ester Formula: C25H28BrN3O3S MolecularWeight: 530.47712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)Br)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)Br)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

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