N-[2-(4-butanoylpiperazin-1-yl)-1-(4-chlorophenyl)sulfonyl-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-(4-butanoylpiperazin-1-yl)-1-(4-chlorophenyl)sulfonyl-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-(4-butanoylpiperazin-1-yl)-1-(4-chlorophenyl)sulfonyl-2-oxo-ethyl]-4-fluoro-benzamide CAS Name: N-[1-(4-chlorophenyl)sulfonyl-2-oxo-2-[4-(1-oxobutyl)-1-piperazinyl]ethyl]-4-fluorobenzamide IUPAC Name: N-[2-(4-butanoylpiperazin-1-yl)-1-(4-chlorophenyl)sulfonyl-2-oxoethyl]-4-fluorobenzamide Traditional Name: N-[2-(4-butyrylpiperazino)-1-(4-chlorophenyl)sulfonyl-2-keto-ethyl]-4-fluoro-benzamide Formula: C23H25ClFN3O5S MolecularWeight: 509.978103

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C(=O)C(NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C(=O)C(NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H25ClFN3O5S/c1-2-3-20(29)27-12-14-28(15-13-27)23(31)22(26-21(30)16-4-8-18(25)9-5-16)34(32,33)19-10-6-17(24)7-11-19/h4-11,22H,2-3,12-15H2,1H3,(H,26,30)