4-[4-(methylsulfonylaminomethyl)-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-(methylsulfonylaminomethyl)-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-(methanesulfonamidomethyl)-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-(methanesulfonamidomethyl)-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-(methanesulfonamidomethyl)-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-(methanesulfonamidomethyl)-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CNS(=O)(=O)C)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CNS(=O)(=O)C)CCCC(=O)O

InChI

InChI=1S/C25H28N2O5S/c1-17(21-11-5-8-19-7-3-4-10-22(19)21)25(30)27-23-15-18(16-26-33(2,31)32)13-14-20(23)9-6-12-24(28)29/h3-5,7-8,10-11,13-15,17,26H,6,9,12,16H2,1-2H3,(H,27,30)(H,28,29)