3-methyl-2-[[4-(2-naphthalen-2-ylethynyl)phenyl]sulfonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-(2-naphthalen-2-ylethynyl)phenyl]sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[2-(2-naphthyl)ethynyl]phenyl]sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[4-[2-(2-naphthalenyl)ethynyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[[4-(2-naphthalen-2-ylethynyl)phenyl]sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[4-[2-(2-naphthyl)ethynyl]phenyl]sulfonylamino]butyric acid Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C#CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C#CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H21NO4S/c1-16(2)22(23(25)26)24-29(27,28)21-13-10-17(11-14-21)7-8-18-9-12-19-5-3-4-6-20(19)15-18/h3-6,9-16,22,24H,1-2H3,(H,25,26)