3-ethoxy-1-[2-(methylsulfanylsulfonylamino)-5-propyl-phenyl]piperazine

Systemtic Name: 3-ethoxy-1-[2-(methylsulfanylsulfonylamino)-5-propyl-phenyl]piperazine Openeye Name: 3-ethoxy-1-[2-(methylsulfanylsulfonylamino)-5-propyl-phenyl]piperazine CAS Name: 3-ethoxy-1-[2-[(methylthio)sulfonylamino]-5-propylphenyl]piperazine IUPAC Name: 3-ethoxy-1-[2-(methylsulfanylsulfonylamino)-5-propylphenyl]piperazine Traditional Name: 3-ethoxy-1-[2-[(methylthio)sulfonylamino]-5-propyl-phenyl]piperazine Formula: C16H27N3O3S2 MolecularWeight: 373.53388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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