2-(3-azanyl-4-iodanyl-phenyl)-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]ethanamide

Systemtic Name: 2-(3-azanyl-4-iodanyl-phenyl)-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]ethanamide Openeye Name: 2-(3-amino-4-iodo-phenyl)-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-1-phenyl-ethyl]acetamide CAS Name: 2-(3-amino-4-iodophenyl)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxo-1-phenylethyl]acetamide IUPAC Name: 2-(3-amino-4-iodophenyl)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]acetamide Traditional Name: 2-(3-amino-4-iodo-phenyl)-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-1-phenyl-ethyl]acetamide Formula: C27H28FIN4O4S MolecularWeight: 650.503493

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)I)N

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)I)N

InChI

InChI=1S/C27H28FIN4O4S/c1-38(36,37)24-17-20(28)8-10-23(24)32-11-13-33(14-12-32)27(35)26(19-5-3-2-4-6-19)31-25(34)16-18-7-9-21(29)22(30)15-18/h2-10,15,17,26H,11-14,16,30H2,1H3,(H,31,34)