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

Systemtic Name: methyl N-[4-methyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate Openeye Name: methyl N-[4-methyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-methyl-2-[3-(methylthio)-1-piperazinyl]phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[4-methyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-methyl-2-[3-(methylthio)piperazino]phenyl]sulfamic acid methyl ester Formula: C13H21N3O3S2 MolecularWeight: 331.45414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)SC

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)SC

InChI

InChI=1S/C13H21N3O3S2/c1-10-4-5-11(15-21(17,18)19-2)12(8-10)16-7-6-14-13(9-16)20-3/h4-5,8,13-15H,6-7,9H2,1-3H3