2-[2-[[(2S)-1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4-methoxy-phenyl]-N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 2-[2-[[(2S)-1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4-methoxy-phenyl]-N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 2-[2-[[(1S)-1-benzyl-2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]carbamoyl]-4-methoxy-phenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 2-[2-[[[(2S)-1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-4-methoxyphenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 2-[2-[[(2S)-1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-4-methoxyphenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 2-[2-[[(1S)-1-benzyl-2-[(4-chlorobenzyl)amino]-2-keto-ethyl]carbamoyl]-4-methoxy-phenyl]-N-[2-fluoro-4-(2-mesylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C42H34ClF4N5O6S MolecularWeight: 848.260873

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)C)F)C(=O)NC(CC5=CC=CC=C5)C(=O)NCC6=CC=C(C=C6)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)C)F)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)NCC6=CC=C(C=C6)Cl

InChI

InChI=1S/C42H34ClF4N5O6S/c1-58-29-17-19-35(31(22-29)39(53)50-34(20-25-8-4-3-5-9-25)40(54)48-24-26-12-15-28(43)16-13-26)52-36(23-38(51-52)42(45,46)47)41(55)49-33-18-14-27(21-32(33)44)30-10-6-7-11-37(30)59(2,56)57/h3-19,21-23,34H,20,24H2,1-2H3,(H,48,54)(H,49,55)(H,50,53)/t34-/m0/s1