1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(4-propan-2-ylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(4-propan-2-ylphenyl)methylsulfanyl]ethanone Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[(4-propan-2-ylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(4-propan-2-ylphenyl)methylsulfanyl]ethanone Traditional Name: 2-[(4-isopropylbenzyl)thio]-1-(4-tosylpiperazino)ethanone Formula: C23H30N2O3S2 MolecularWeight: 446.6259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H30N2O3S2/c1-18(2)21-8-6-20(7-9-21)16-29-17-23(26)24-12-14-25(15-13-24)30(27,28)22-10-4-19(3)5-11-22/h4-11,18H,12-17H2,1-3H3