3-(4-cyanophenyl)-3-methyl-2-(methylamino)-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-hexanoic acid

Systemtic Name: 3-(4-cyanophenyl)-3-methyl-2-(methylamino)-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-hexanoic acid Openeye Name: 3-(4-cyanophenyl)-3-methyl-2-(methylamino)-2-(2-naphthylsulfonylamino)-4-oxo-hexanoic acid CAS Name: 3-(4-cyanophenyl)-3-methyl-2-(methylamino)-2-(2-naphthalenylsulfonylamino)-4-oxohexanoic acid IUPAC Name: 3-(4-cyanophenyl)-3-methyl-2-(methylamino)-2-(naphthalen-2-ylsulfonylamino)-4-oxohexanoic acid Traditional Name: 3-(4-cyanophenyl)-4-keto-3-methyl-2-(methylamino)-2-(2-naphthylsulfonylamino)hexanoic acid Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C1=CC=C(C=C1)C#N)C(C(=O)O)(NC)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(=O)C(C)(C1=CC=C(C=C1)C#N)C(C(=O)O)(NC)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H25N3O5S/c1-4-22(29)24(2,20-12-9-17(16-26)10-13-20)25(27-3,23(30)31)28-34(32,33)21-14-11-18-7-5-6-8-19(18)15-21/h5-15,27-28H,4H2,1-3H3,(H,30,31)