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

Systemtic Name: phenyl N-[2-(4-methylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(p-tolyl)ethyl]sulfamate CAS Name: N-[2-(4-methylphenyl)-2-[3-(methylthio)-1-piperazinyl]ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(4-methylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]sulfamate Traditional Name: N-[2-[3-(methylthio)piperazino]-2-(p-tolyl)ethyl]sulfamic acid phenyl ester Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C20H27N3O3S2/c1-16-8-10-17(11-9-16)19(23-13-12-21-20(15-23)27-2)14-22-28(24,25)26-18-6-4-3-5-7-18/h3-11,19-22H,12-15H2,1-2H3