N-[4-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]thio]phenyl]acetamide Formula: C20H22FN3O4S2 MolecularWeight: 451.534783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C20H22FN3O4S2/c1-15(25)22-17-5-7-18(8-6-17)29-14-20(26)23-9-11-24(12-10-23)30(27,28)19-4-2-3-16(21)13-19/h2-8,13H,9-12,14H2,1H3,(H,22,25)