2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]acetamide Formula: C21H23ClFN3O3S2 MolecularWeight: 484.007023

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H23ClFN3O3S2/c1-2-13-30-20-6-4-3-5-19(20)24-21(27)15-25-9-11-26(12-10-25)31(28,29)16-7-8-18(23)17(22)14-16/h2-8,14H,1,9-13,15H2,(H,24,27)