2-[5-[(4-tert-butylphenyl)sulfonylamino]-4-iodanyl-1-methyl-pyrazol-3-yl]oxyethyl ethanoate

Systemtic Name: 2-[5-[(4-tert-butylphenyl)sulfonylamino]-4-iodanyl-1-methyl-pyrazol-3-yl]oxyethyl ethanoate Openeye Name: 2-[5-[(4-tert-butylphenyl)sulfonylamino]-4-iodo-1-methyl-pyrazol-3-yl]oxyethyl acetate CAS Name: acetic acid 2-[[5-[(4-tert-butylphenyl)sulfonylamino]-4-iodo-1-methyl-3-pyrazolyl]oxy]ethyl ester IUPAC Name: 2-[5-[(4-tert-butylphenyl)sulfonylamino]-4-iodo-1-methylpyrazol-3-yl]oxyethyl acetate Traditional Name: acetic acid 2-[5-[(4-tert-butylphenyl)sulfonylamino]-4-iodo-1-methyl-pyrazol-3-yl]oxyethyl ester Formula: C18H24IN3O5S MolecularWeight: 521.36973

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1=NN(C(=C1I)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CC(=O)OCCOC1=NN(C(=C1I)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C18H24IN3O5S/c1-12(23)26-10-11-27-17-15(19)16(22(5)20-17)21-28(24,25)14-8-6-13(7-9-14)18(2,3)4/h6-9,21H,10-11H2,1-5H3