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

Systemtic Name: ethyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propyl-phenyl]sulfamate Openeye Name: ethyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propyl-phenyl]sulfamate CAS Name: N-[2-[3-(methylthio)-1-piperazinyl]-4-propylphenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-propylphenyl]sulfamate Traditional Name: N-[2-[3-(methylthio)piperazino]-4-propyl-phenyl]sulfamic acid ethyl ester Formula: C16H27N3O3S2 MolecularWeight: 373.53388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)SC

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)SC

InChI

InChI=1S/C16H27N3O3S2/c1-4-6-13-7-8-14(18-24(20,21)22-5-2)15(11-13)19-10-9-17-16(12-19)23-3/h7-8,11,16-18H,4-6,9-10,12H2,1-3H3