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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]propanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]propanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]propionic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-3-4-12-26-17-7-9-18(10-8-17)27(24,25)21(15(2)19(22)23)14-16-6-5-11-20-13-16/h5-11,13,15H,12,14H2,1-2H3,(H,22,23)