1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(m-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-2-[(3-methylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Traditional Name: 2-[(3-methylbenzyl)thio]-1-(4-p-phenetylsulfonylpiperazino)ethanone Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=CC(=C3)C

InChI

InChI=1S/C22H28N2O4S2/c1-3-28-20-7-9-21(10-8-20)30(26,27)24-13-11-23(12-14-24)22(25)17-29-16-19-6-4-5-18(2)15-19/h4-10,15H,3,11-14,16-17H2,1-2H3