2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propionic acid Formula: C14H17NO5S MolecularWeight: 311.35348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-4-5-10-20-12-6-8-13(9-7-12)21(18,19)15(3)11(2)14(16)17/h6-9,11H,10H2,1-3H3,(H,16,17)