1-[2,6-bis(chloranyl)-4-hexylsulfanyl-phenyl]-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 1-[2,6-bis(chloranyl)-4-hexylsulfanyl-phenyl]-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 1-(2,6-dichloro-4-hexylsulfanyl-phenyl)-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one CAS Name: 1-[2,6-dichloro-4-(hexylthio)phenyl]-3-(4-ethylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 1-(2,6-dichloro-4-hexylsulfanylphenyl)-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 1-[2,6-dichloro-4-(hexylthio)phenyl]-3-(4-esylpiperazino)propan-1-one Formula: C21H32Cl2N2O3S2 MolecularWeight: 495.52638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32Cl2N2O3S2/c1-3-5-6-7-14-29-17-15-18(22)21(19(23)16-17)20(26)8-9-24-10-12-25(13-11-24)30(27,28)4-2/h15-16H,3-14H2,1-2H3