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

Systemtic Name: 1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine CAS Name: 1-[5-ethyl-2-[(methylthio)sulfonylamino]phenyl]-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine Traditional Name: 3-benzyl-1-[5-ethyl-2-[(methylthio)sulfonylamino]phenyl]piperazine Formula: C20H27N3O2S2 MolecularWeight: 405.57728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2S2/c1-3-16-9-10-19(22-27(24,25)26-2)20(14-16)23-12-11-21-18(15-23)13-17-7-5-4-6-8-17/h4-10,14,18,21-22H,3,11-13,15H2,1-2H3