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

Systemtic Name: phenyl N-[2-[3-(phenylmethyl)piperazin-1-yl]-2-(4-phenylphenyl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-benzylpiperazin-1-yl)-2-(4-phenylphenyl)ethyl]sulfamate CAS Name: N-[2-[3-(phenylmethyl)-1-piperazinyl]-2-(4-phenylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-benzylpiperazin-1-yl)-2-(4-phenylphenyl)ethyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-2-(4-phenylphenyl)ethyl]sulfamic acid phenyl ester Formula: C31H33N3O3S MolecularWeight: 527.67702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C(CNS(=O)(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C(CNS(=O)(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O3S/c35-38(36,37-30-14-8-3-9-15-30)33-23-31(28-18-16-27(17-19-28)26-12-6-2-7-13-26)34-21-20-32-29(24-34)22-25-10-4-1-5-11-25/h1-19,29,31-33H,20-24H2