1-(2-chloranyl-4-hexylsulfanyl-phenyl)-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 1-(2-chloranyl-4-hexylsulfanyl-phenyl)-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 1-(2-chloro-4-hexylsulfanyl-phenyl)-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one CAS Name: 1-[2-chloro-4-(hexylthio)phenyl]-3-(4-ethylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 1-(2-chloro-4-hexylsulfanylphenyl)-3-(4-ethylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 1-[2-chloro-4-(hexylthio)phenyl]-3-(4-esylpiperazino)propan-1-one Formula: C21H33ClN2O3S2 MolecularWeight: 461.08132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33ClN2O3S2/c1-3-5-6-7-16-28-18-8-9-19(20(22)17-18)21(25)10-11-23-12-14-24(15-13-23)29(26,27)4-2/h8-9,17H,3-7,10-16H2,1-2H3