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

Systemtic Name: phenyl N-[2-(3-methylsulfanylpiperazin-1-yl)-2-[4-(phenylmethyl)phenyl]ethyl]sulfamate Openeye Name: phenyl N-[2-(4-benzylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]sulfamate CAS Name: N-[2-[3-(methylthio)-1-piperazinyl]-2-[4-(phenylmethyl)phenyl]ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(4-benzylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]sulfamate Traditional Name: N-[2-(4-benzylphenyl)-2-[3-(methylthio)piperazino]ethyl]sulfamic acid phenyl ester Formula: C26H31N3O3S2 MolecularWeight: 497.67264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CSC1CN(CCN1)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3S2/c1-33-26-20-29(17-16-27-26)25(19-28-34(30,31)32-24-10-6-3-7-11-24)23-14-12-22(13-15-23)18-21-8-4-2-5-9-21/h2-15,25-28H,16-20H2,1H3