1-ethyl-4-[4-methoxy-3-phenyl-5-(phenylsulfonylsulfinyl)phenyl]piperazine

Systemtic Name: 1-ethyl-4-[4-methoxy-3-phenyl-5-(phenylsulfonylsulfinyl)phenyl]piperazine Openeye Name: 1-[3-(benzenesulfonylsulfinyl)-4-methoxy-5-phenyl-phenyl]-4-ethyl-piperazine CAS Name: 1-[3-(benzenesulfonylsulfinyl)-4-methoxy-5-phenylphenyl]-4-ethylpiperazine IUPAC Name: 1-[3-(benzenesulfonylsulfinyl)-4-methoxy-5-phenylphenyl]-4-ethylpiperazine Traditional Name: 1-(3-besylsulfinyl-4-methoxy-5-phenyl-phenyl)-4-ethyl-piperazine Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C(=C2)C3=CC=CC=C3)OC)S(=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C(=C2)C3=CC=CC=C3)OC)S(=O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4S2/c1-3-26-14-16-27(17-15-26)21-18-23(20-10-6-4-7-11-20)25(31-2)24(19-21)32(28)33(29,30)22-12-8-5-9-13-22/h4-13,18-19H,3,14-17H2,1-2H3