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

Systemtic Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-fluorophenyl)sulfonyl-2-oxidanylidene-ethyl]-4-methoxy-benzamide Openeye Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-fluorophenyl)sulfonyl-2-oxo-ethyl]-4-methoxy-benzamide CAS Name: N-[(1R)-1-(4-fluorophenyl)sulfonyl-2-oxo-2-[4-(1-oxobutyl)-1-piperazinyl]ethyl]-4-methoxybenzamide IUPAC Name: N-[(1R)-2-(4-butanoylpiperazin-1-yl)-1-(4-fluorophenyl)sulfonyl-2-oxoethyl]-4-methoxybenzamide Traditional Name: N-[(1R)-2-(4-butyrylpiperazino)-1-(4-fluorophenyl)sulfonyl-2-keto-ethyl]-4-methoxy-benzamide Formula: C24H28FN3O6S MolecularWeight: 505.559023

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H28FN3O6S/c1-3-4-21(29)27-13-15-28(16-14-27)24(31)23(35(32,33)20-11-7-18(25)8-12-20)26-22(30)17-5-9-19(34-2)10-6-17/h5-12,23H,3-4,13-16H2,1-2H3,(H,26,30)/t23-/m1/s1