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

Systemtic Name: 1-[2,3-bis(chloranyl)-4-hexylsulfanyl-phenyl]-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 1-(2,3-dichloro-4-hexylsulfanyl-phenyl)-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one CAS Name: 1-[2,3-dichloro-4-(hexylthio)phenyl]-3-(4-ethylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 1-(2,3-dichloro-4-hexylsulfanylphenyl)-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 1-[2,3-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=C(C(=C(C=C1)C(=O)CCN2CCN(CC2)S(=O)(=O)CC)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H32Cl2N2O3S2/c1-3-5-6-7-16-29-19-9-8-17(20(22)21(19)23)18(26)10-11-24-12-14-25(15-13-24)30(27,28)4-2/h8-9H,3-7,10-16H2,1-2H3