[4-ethyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)SC

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)SC

InChI

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