3-(4-ethylsulfonylpiperazin-1-yl)-1-(4-hexylsulfanyl-2,6-dimethyl-phenyl)propan-1-one

Systemtic Name: 3-(4-ethylsulfonylpiperazin-1-yl)-1-(4-hexylsulfanyl-2,6-dimethyl-phenyl)propan-1-one Openeye Name: 3-(4-ethylsulfonylpiperazin-1-yl)-1-(4-hexylsulfanyl-2,6-dimethyl-phenyl)propan-1-one CAS Name: 3-(4-ethylsulfonyl-1-piperazinyl)-1-[4-(hexylthio)-2,6-dimethylphenyl]-1-propanone IUPAC Name: 3-(4-ethylsulfonylpiperazin-1-yl)-1-(4-hexylsulfanyl-2,6-dimethylphenyl)propan-1-one Traditional Name: 3-(4-esylpiperazino)-1-[4-(hexylthio)-2,6-dimethyl-phenyl]propan-1-one Formula: C23H38N2O3S2 MolecularWeight: 454.68942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC(=C(C(=C1)C)C(=O)CCN2CCN(CC2)S(=O)(=O)CC)C

Isomeric SMILES

CCCCCCSC1=CC(=C(C(=C1)C)C(=O)CCN2CCN(CC2)S(=O)(=O)CC)C

InChI

InChI=1S/C23H38N2O3S2/c1-5-7-8-9-16-29-21-17-19(3)23(20(4)18-21)22(26)10-11-24-12-14-25(15-13-24)30(27,28)6-2/h17-18H,5-16H2,1-4H3