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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]acetic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]acetic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]acetic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]acetic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S/c1-3-4-9-19-11-5-7-12(8-6-11)20(17,18)14(2)10-13(15)16/h5-8H,9-10H2,1-2H3,(H,15,16)