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

Systemtic Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-fluorophenyl)sulfonyl-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide Openeye Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-fluorophenyl)sulfonyl-2-oxo-ethyl]-4-fluoro-benzamide CAS Name: 4-fluoro-N-[(1R)-1-(4-fluorophenyl)sulfonyl-2-oxo-2-[4-(1-oxobutyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-fluorophenyl)sulfonyl-2-oxoethyl]-4-fluorobenzamide Traditional Name: N-[(1R)-2-(4-butyrylpiperazino)-1-(4-fluorophenyl)sulfonyl-2-keto-ethyl]-4-fluoro-benzamide Formula: C23H25F2N3O5S MolecularWeight: 493.523506

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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)F

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C(=O)[C@H](NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H25F2N3O5S/c1-2-3-20(29)27-12-14-28(15-13-27)23(31)22(26-21(30)16-4-6-17(24)7-5-16)34(32,33)19-10-8-18(25)9-11-19/h4-11,22H,2-3,12-15H2,1H3,(H,26,30)/t22-/m1/s1