2-[3-(4-cyanophenyl)butylamino]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-pentanoic acid

Systemtic Name: 2-[3-(4-cyanophenyl)butylamino]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanylidene-pentanoic acid Openeye Name: 2-[3-(4-cyanophenyl)butylamino]-2-(2-naphthylsulfonylamino)-3-oxo-pentanoic acid CAS Name: 2-[3-(4-cyanophenyl)butylamino]-2-(2-naphthalenylsulfonylamino)-3-oxopentanoic acid IUPAC Name: 2-[3-(4-cyanophenyl)butylamino]-2-(naphthalen-2-ylsulfonylamino)-3-oxopentanoic acid Traditional Name: 2-[3-(4-cyanophenyl)butylamino]-3-keto-2-(2-naphthylsulfonylamino)valeric acid Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O5S/c1-3-24(30)26(25(31)32,28-15-14-18(2)20-10-8-19(17-27)9-11-20)29-35(33,34)23-13-12-21-6-4-5-7-22(21)16-23/h4-13,16,18,28-29H,3,14-15H2,1-2H3,(H,31,32)