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

Systemtic Name: 4-[2-(2-naphthalen-1-ylpropanoylamino)-4-(phenylsulfonylamino)phenyl]butanoic acid Openeye Name: 4-[4-(benzenesulfonamido)-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-(benzenesulfonamido)-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-(benzenesulfonamido)-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-(benzenesulfonamido)-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C29H28N2O5S MolecularWeight: 516.60802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)CCCC(=O)O

InChI

InChI=1S/C29H28N2O5S/c1-20(25-15-7-10-21-9-5-6-14-26(21)25)29(34)30-27-19-23(18-17-22(27)11-8-16-28(32)33)31-37(35,36)24-12-3-2-4-13-24/h2-7,9-10,12-15,17-20,31H,8,11,16H2,1H3,(H,30,34)(H,32,33)