phenyl 4-[2-(bromanylamino)-1-[4-(phenylmethyl)phenyl]ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(bromanylamino)-1-[4-(phenylmethyl)phenyl]ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-benzylphenyl)-2-(bromoamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(bromoamino)-1-[4-(phenylmethyl)phenyl]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(4-benzylphenyl)-2-(bromoamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-benzylphenyl)-2-(bromoamino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H28BrN3O3S MolecularWeight: 530.47712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNBr)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNBr)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28BrN3O3S/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)33(30,31)32-23-9-5-2-6-10-23/h1-14,24-25,27-28H,15-19H2