1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]-3-oxidanyl-piperazine

Systemtic Name: 1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]-3-oxidanyl-piperazine Openeye Name: 1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]-3-hydroxy-piperazine CAS Name: 1-[5-ethyl-2-[(methylthio)sulfonylamino]phenyl]-3-hydroxypiperazine IUPAC Name: 1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]-3-hydroxypiperazine Traditional Name: 1-[5-ethyl-2-[(methylthio)sulfonylamino]phenyl]-3-hydroxy-piperazine Formula: C13H21N3O3S2 MolecularWeight: 331.45414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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