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

Systemtic Name: 2-(3-aminophenyl)-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]ethanamide Openeye Name: 2-(3-aminophenyl)-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-1-phenyl-ethyl]acetamide CAS Name: 2-(3-aminophenyl)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxo-1-phenylethyl]acetamide IUPAC Name: 2-(3-aminophenyl)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]acetamide Traditional Name: 2-(3-aminophenyl)-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-1-phenyl-ethyl]acetamide Formula: C27H29FN4O4S MolecularWeight: 524.606963

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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(=CC=C4)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(=CC=C4)N

InChI

InChI=1S/C27H29FN4O4S/c1-37(35,36)24-18-21(28)10-11-23(24)31-12-14-32(15-13-31)27(34)26(20-7-3-2-4-8-20)30-25(33)17-19-6-5-9-22(29)16-19/h2-11,16,18,26H,12-15,17,29H2,1H3,(H,30,33)