ethyl 2-[4-[(5-bromanyl-6-ethoxy-pyridin-3-yl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(5-bromanyl-6-ethoxy-pyridin-3-yl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(5-bromo-6-ethoxy-3-pyridyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetate CAS Name: 2-[4-[(5-bromo-6-ethoxy-3-pyridinyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(5-bromo-6-ethoxypyridin-3-yl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetate Traditional Name: 2-[4-[(5-bromo-6-ethoxy-3-pyridyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid ethyl ester Formula: C18H23BrN4O5S MolecularWeight: 487.36802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=N1)S(=O)(=O)NC2CCCC3=C2C=NN3CC(=O)OCC)Br

Isomeric SMILES

CCOC1=C(C=C(C=N1)S(=O)(=O)NC2CCCC3=C2C=NN3CC(=O)OCC)Br

InChI

InChI=1S/C18H23BrN4O5S/c1-3-27-17(24)11-23-16-7-5-6-15(13(16)10-21-23)22-29(25,26)12-8-14(19)18(20-9-12)28-4-2/h8-10,15,22H,3-7,11H2,1-2H3