2-[(4-but-2-ynoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]ethanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]acetic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]acetic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]acetic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)CC(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)CC(=O)O

InChI

InChI=1S/C18H18N2O5S/c1-2-3-11-25-16-6-8-17(9-7-16)26(23,24)20(14-18(21)22)13-15-5-4-10-19-12-15/h4-10,12H,11,13-14H2,1H3,(H,21,22)