3-(4-ethanoylpiperazin-1-yl)-1-(4-hexylsulfonyl-2,6-dimethyl-phenyl)propan-1-one

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)-1-(4-hexylsulfonyl-2,6-dimethyl-phenyl)propan-1-one Openeye Name: 3-(4-acetylpiperazin-1-yl)-1-(4-hexylsulfonyl-2,6-dimethyl-phenyl)propan-1-one CAS Name: 3-(4-acetyl-1-piperazinyl)-1-(4-hexylsulfonyl-2,6-dimethylphenyl)-1-propanone IUPAC Name: 3-(4-acetylpiperazin-1-yl)-1-(4-hexylsulfonyl-2,6-dimethylphenyl)propan-1-one Traditional Name: 3-(4-acetylpiperazino)-1-(4-hexylsulfonyl-2,6-dimethyl-phenyl)propan-1-one Formula: C23H36N2O4S MolecularWeight: 436.60794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=CC(=C(C(=C1)C)C(=O)CCN2CCN(CC2)C(=O)C)C

Isomeric SMILES

CCCCCCS(=O)(=O)C1=CC(=C(C(=C1)C)C(=O)CCN2CCN(CC2)C(=O)C)C

InChI

InChI=1S/C23H36N2O4S/c1-5-6-7-8-15-30(28,29)21-16-18(2)23(19(3)17-21)22(27)9-10-24-11-13-25(14-12-24)20(4)26/h16-17H,5-15H2,1-4H3