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

Systemtic Name: phenyl N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-phenylphenyl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-phenylphenyl)ethyl]sulfamate CAS Name: N-[2-[3-(methylthio)-1-piperazinyl]-2-(4-phenylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-phenylphenyl)ethyl]sulfamate Traditional Name: N-[2-[3-(methylthio)piperazino]-2-(4-phenylphenyl)ethyl]sulfamic acid phenyl ester Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S2/c1-32-25-19-28(17-16-26-25)24(18-27-33(29,30)31-23-10-6-3-7-11-23)22-14-12-21(13-15-22)20-8-4-2-5-9-20/h2-15,24-27H,16-19H2,1H3