2-[2-azanyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyridin-3-ylsulfonylamino)phenoxy]ethanoic acid

Systemtic Name: 2-[2-azanyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyridin-3-ylsulfonylamino)phenoxy]ethanoic acid Openeye Name: 2-[2-amino-4-tert-butoxycarbonyl-3-(3-pyridylsulfonylamino)phenoxy]acetic acid CAS Name: 2-[2-amino-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-(3-pyridinylsulfonylamino)phenoxy]acetic acid IUPAC Name: 2-[2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyridin-3-ylsulfonylamino)phenoxy]acetic acid Traditional Name: 2-[2-amino-4-tert-butoxycarbonyl-3-(3-pyridylsulfonylamino)phenoxy]acetic acid Formula: C18H21N3O7S MolecularWeight: 423.44024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=C(C=C1)OCC(=O)O)N)NS(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=C(C=C1)OCC(=O)O)N)NS(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H21N3O7S/c1-18(2,3)28-17(24)12-6-7-13(27-10-14(22)23)15(19)16(12)21-29(25,26)11-5-4-8-20-9-11/h4-9,21H,10,19H2,1-3H3,(H,22,23)