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

Systemtic Name: 2-[5-[(4-tert-butylphenyl)sulfonyl-(2-methylpropoxycarbonyl)amino]-4-iodanyl-1-methyl-pyrazol-3-yl]oxyethyl ethanoate Openeye Name: 2-[5-[(4-tert-butylphenyl)sulfonyl-isobutoxycarbonyl-amino]-4-iodo-1-methyl-pyrazol-3-yl]oxyethyl acetate CAS Name: acetic acid 2-[[5-[(4-tert-butylphenyl)sulfonyl-[2-methylpropoxy(oxo)methyl]amino]-4-iodo-1-methyl-3-pyrazolyl]oxy]ethyl ester IUPAC Name: 2-[5-[(4-tert-butylphenyl)sulfonyl-(2-methylpropoxycarbonyl)amino]-4-iodo-1-methylpyrazol-3-yl]oxyethyl acetate Traditional Name: acetic acid 2-[5-[(4-tert-butylphenyl)sulfonyl-isobutoxycarbonyl-amino]-4-iodo-1-methyl-pyrazol-3-yl]oxyethyl ester Formula: C23H32IN3O7S MolecularWeight: 621.48555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N(C1=C(C(=NN1C)OCCOC(=O)C)I)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)COC(=O)N(C1=C(C(=NN1C)OCCOC(=O)C)I)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H32IN3O7S/c1-15(2)14-34-22(29)27(35(30,31)18-10-8-17(9-11-18)23(4,5)6)21-19(24)20(25-26(21)7)33-13-12-32-16(3)28/h8-11,15H,12-14H2,1-7H3