4-[4-[[4-methoxy-3-(trifluoromethyl)phenyl]sulfonyl-(naphthalen-1-ylmethyl)amino]phenyl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid

Systemtic Name: 4-[4-[[4-methoxy-3-(trifluoromethyl)phenyl]sulfonyl-(naphthalen-1-ylmethyl)amino]phenyl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-4-[4-[[4-methoxy-3-(trifluoromethyl)phenyl]sulfonyl-(1-naphthylmethyl)amino]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[4-methoxy-3-(trifluoromethyl)phenyl]sulfonyl-(1-naphthalenylmethyl)amino]phenyl]-4-oxo-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-4-[4-[[4-methoxy-3-(trifluoromethyl)phenyl]sulfonyl-(naphthalen-1-ylmethyl)amino]phenyl]-4-oxobutanoic acid Traditional Name: 2-benzyl-4-keto-4-[4-[[4-methoxy-3-(trifluoromethyl)phenyl]sulfonyl-(1-naphthylmethyl)amino]phenyl]butyric acid Formula: C36H30F3NO6S MolecularWeight: 661.68671

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)C(=O)CC(CC5=CC=CC=C5)C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)C(=O)CC(CC5=CC=CC=C5)C(=O)O)C(F)(F)F

InChI

InChI=1S/C36H30F3NO6S/c1-46-34-19-18-30(22-32(34)36(37,38)39)47(44,45)40(23-27-12-7-11-25-10-5-6-13-31(25)27)29-16-14-26(15-17-29)33(41)21-28(35(42)43)20-24-8-3-2-4-9-24/h2-19,22,28H,20-21,23H2,1H3,(H,42,43)