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

Systemtic Name: 2-(3-azanylnaphthalen-2-yl)-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]ethanamide Openeye Name: 2-(3-amino-2-naphthyl)-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-1-phenyl-ethyl]acetamide CAS Name: 2-(3-amino-2-naphthalenyl)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxo-1-phenylethyl]acetamide IUPAC Name: 2-(3-aminonaphthalen-2-yl)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]acetamide Traditional Name: 2-(3-amino-2-naphthyl)-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-1-phenyl-ethyl]acetamide Formula: C31H31FN4O4S MolecularWeight: 574.665643

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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=CC5=CC=CC=C5C=C4N

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)NC(=O)CC4=CC5=CC=CC=C5C=C4N

InChI

InChI=1S/C31H31FN4O4S/c1-41(39,40)28-20-25(32)11-12-27(28)35-13-15-36(16-14-35)31(38)30(21-7-3-2-4-8-21)34-29(37)19-24-17-22-9-5-6-10-23(22)18-26(24)33/h2-12,17-18,20,30H,13-16,19,33H2,1H3,(H,34,37)