N-[(1R)-2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-1-(phenylsulfonyl)ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[(1R)-2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-1-(phenylsulfonyl)ethyl]-4-fluoranyl-benzamide Openeye Name: N-[(1R)-2-(4-acetylpiperazin-1-yl)-1-(benzenesulfonyl)-2-oxo-ethyl]-4-fluoro-benzamide CAS Name: N-[(1R)-2-(4-acetyl-1-piperazinyl)-1-(benzenesulfonyl)-2-oxoethyl]-4-fluorobenzamide IUPAC Name: N-[(1R)-2-(4-acetylpiperazin-1-yl)-1-(benzenesulfonyl)-2-oxoethyl]-4-fluorobenzamide Traditional Name: N-[(1R)-2-(4-acetylpiperazino)-1-besyl-2-keto-ethyl]-4-fluoro-benzamide Formula: C21H22FN3O5S MolecularWeight: 447.479883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O5S/c1-15(26)24-11-13-25(14-12-24)21(28)20(31(29,30)18-5-3-2-4-6-18)23-19(27)16-7-9-17(22)10-8-16/h2-10,20H,11-14H2,1H3,(H,23,27)/t20-/m1/s1