5-(4-cyanophenyl)-2-(methylamino)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-cyanophenyl)-2-(methylamino)-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-pentanoic acid Openeye Name: 5-(4-cyanophenyl)-2-(methylamino)-2-(2-naphthylsulfonylamino)-3-oxo-pentanoic acid CAS Name: 5-(4-cyanophenyl)-2-(methylamino)-2-(2-naphthalenylsulfonylamino)-3-oxopentanoic acid IUPAC Name: 5-(4-cyanophenyl)-2-(methylamino)-2-(naphthalen-2-ylsulfonylamino)-3-oxopentanoic acid Traditional Name: 5-(4-cyanophenyl)-3-keto-2-(methylamino)-2-(2-naphthylsulfonylamino)valeric acid Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C(=O)CCC1=CC=C(C=C1)C#N)(C(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CNC(C(=O)CCC1=CC=C(C=C1)C#N)(C(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H21N3O5S/c1-25-23(22(28)29,21(27)13-10-16-6-8-17(15-24)9-7-16)26-32(30,31)20-12-11-18-4-2-3-5-19(18)14-20/h2-9,11-12,14,25-26H,10,13H2,1H3,(H,28,29)