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

Systemtic Name: 1-[2,5-bis(chloranyl)-4-hexylsulfonyl-phenyl]-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 1-(2,5-dichloro-4-hexylsulfonyl-phenyl)-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one CAS Name: 1-(2,5-dichloro-4-hexylsulfonylphenyl)-3-(4-ethylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 1-(2,5-dichloro-4-hexylsulfonylphenyl)-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 1-(2,5-dichloro-4-hexylsulfonyl-phenyl)-3-(4-esylpiperazino)propan-1-one Formula: C21H32Cl2N2O5S2 MolecularWeight: 527.52518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32Cl2N2O5S2/c1-3-5-6-7-14-31(27,28)21-16-18(22)17(15-19(21)23)20(26)8-9-24-10-12-25(13-11-24)32(29,30)4-2/h15-16H,3-14H2,1-2H3