1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-ethoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-ethoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-ethoxyphenyl)sulfanyl-ethanone CAS Name: 1-[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-2-[(4-ethoxyphenyl)thio]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-ethoxyphenyl)sulfanylethanone Traditional Name: 1-[4-(3-chlorophenyl)sulfonylpiperazino]-2-(p-phenetylthio)ethanone Formula: C20H23ClN2O4S2 MolecularWeight: 454.99062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O4S2/c1-2-27-17-6-8-18(9-7-17)28-15-20(24)22-10-12-23(13-11-22)29(25,26)19-5-3-4-16(21)14-19/h3-9,14H,2,10-13,15H2,1H3