1-[2,5-bis(chloranyl)-4-hexylsulfonyl-phenyl]-3-(4-ethanoylpiperazin-1-yl)propan-1-one

Systemtic Name: 1-[2,5-bis(chloranyl)-4-hexylsulfonyl-phenyl]-3-(4-ethanoylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-acetylpiperazin-1-yl)-1-(2,5-dichloro-4-hexylsulfonyl-phenyl)propan-1-one CAS Name: 3-(4-acetyl-1-piperazinyl)-1-(2,5-dichloro-4-hexylsulfonylphenyl)-1-propanone IUPAC Name: 3-(4-acetylpiperazin-1-yl)-1-(2,5-dichloro-4-hexylsulfonylphenyl)propan-1-one Traditional Name: 3-(4-acetylpiperazino)-1-(2,5-dichloro-4-hexylsulfonyl-phenyl)propan-1-one Formula: C21H30Cl2N2O4S MolecularWeight: 477.4449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30Cl2N2O4S/c1-3-4-5-6-13-30(28,29)21-15-18(22)17(14-19(21)23)20(27)7-8-24-9-11-25(12-10-24)16(2)26/h14-15H,3-13H2,1-2H3