2-[1-(4-but-2-ynoxyphenyl)sulfonylethylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[1-(4-but-2-ynoxyphenyl)sulfonylethylamino]-3-methyl-butanoic acid Openeye Name: 2-[1-(4-but-2-ynoxyphenyl)sulfonylethylamino]-3-methyl-butanoic acid CAS Name: 2-[1-(4-but-2-ynoxyphenyl)sulfonylethylamino]-3-methylbutanoic acid IUPAC Name: 2-[1-(4-but-2-ynoxyphenyl)sulfonylethylamino]-3-methylbutanoic acid Traditional Name: 2-[1-(4-but-2-ynoxyphenyl)sulfonylethylamino]-3-methyl-butyric acid Formula: C17H23NO5S MolecularWeight: 353.43322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C)NC(C(C)C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C)NC(C(C)C)C(=O)O

InChI

InChI=1S/C17H23NO5S/c1-5-6-11-23-14-7-9-15(10-8-14)24(21,22)13(4)18-16(12(2)3)17(19)20/h7-10,12-13,16,18H,11H2,1-4H3,(H,19,20)