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

Systemtic Name: 3-ethoxy-1-[2-(methylsulfanylsulfonylamino)-5-(phenylmethyl)phenyl]piperazine Openeye Name: 1-[5-benzyl-2-(methylsulfanylsulfonylamino)phenyl]-3-ethoxy-piperazine CAS Name: 3-ethoxy-1-[2-[(methylthio)sulfonylamino]-5-(phenylmethyl)phenyl]piperazine IUPAC Name: 1-[5-benzyl-2-(methylsulfanylsulfonylamino)phenyl]-3-ethoxypiperazine Traditional Name: 1-[5-benzyl-2-[(methylthio)sulfonylamino]phenyl]-3-ethoxy-piperazine Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)SC

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)SC

InChI

InChI=1S/C20H27N3O3S2/c1-3-26-20-15-23(12-11-21-20)19-14-17(13-16-7-5-4-6-8-16)9-10-18(19)22-28(24,25)27-2/h4-10,14,20-22H,3,11-13,15H2,1-2H3