3-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propanoic acid

Systemtic Name: 3-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propanoic acid Openeye Name: 3-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propanoic acid CAS Name: 3-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]propanoic acid IUPAC Name: 3-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]propanoic acid Traditional Name: 3-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propionic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-3-4-11-20-12-5-7-13(8-6-12)21(18,19)15(2)10-9-14(16)17/h5-8H,9-11H2,1-2H3,(H,16,17)