2-azanyl-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4,5-dimethoxy-N-phenyl-benzamide

Systemtic Name: 2-azanyl-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4,5-dimethoxy-N-phenyl-benzamide Openeye Name: 2-amino-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-4,5-dimethoxy-N-phenyl-benzamide CAS Name: 2-amino-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-4,5-dimethoxy-N-phenylbenzamide IUPAC Name: 2-amino-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-4,5-dimethoxy-N-phenylbenzamide Traditional Name: 2-amino-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-4,5-dimethoxy-N-phenyl-benzamide Formula: C28H31FN4O6S MolecularWeight: 570.632343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N(CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)F)S(=O)(=O)C)C4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N(CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)F)S(=O)(=O)C)C4=CC=CC=C4)N)OC

InChI

InChI=1S/C28H31FN4O6S/c1-38-24-16-21(22(30)17-25(24)39-2)28(35)33(20-7-5-4-6-8-20)18-27(34)32-13-11-31(12-14-32)23-10-9-19(29)15-26(23)40(3,36)37/h4-10,15-17H,11-14,18,30H2,1-3H3