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

Systemtic Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-fluorophenyl)sulfonyl-2-oxidanylidene-ethyl]-2-methyl-benzamide Openeye Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-fluorophenyl)sulfonyl-2-oxo-ethyl]-2-methyl-benzamide CAS Name: N-[(1R)-1-(4-fluorophenyl)sulfonyl-2-oxo-2-[4-(1-oxobutyl)-1-piperazinyl]ethyl]-2-methylbenzamide IUPAC Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-fluorophenyl)sulfonyl-2-oxoethyl]-2-methylbenzamide Traditional Name: N-[(1R)-2-(4-butyrylpiperazino)-1-(4-fluorophenyl)sulfonyl-2-keto-ethyl]-2-methyl-benzamide Formula: C24H28FN3O5S MolecularWeight: 489.559623

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C(=O)C(NC(=O)C2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C(=O)[C@H](NC(=O)C2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H28FN3O5S/c1-3-6-21(29)27-13-15-28(16-14-27)24(31)23(26-22(30)20-8-5-4-7-17(20)2)34(32,33)19-11-9-18(25)10-12-19/h4-5,7-12,23H,3,6,13-16H2,1-2H3,(H,26,30)/t23-/m1/s1