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

Systemtic Name: 2-[5-[(4-tert-butylphenyl)sulfonyl-(2-methoxyethoxymethyl)amino]-4-iodanyl-1-methyl-pyrazol-3-yl]oxyethyl ethanoate Openeye Name: 2-[5-[(4-tert-butylphenyl)sulfonyl-(2-methoxyethoxymethyl)amino]-4-iodo-1-methyl-pyrazol-3-yl]oxyethyl acetate CAS Name: acetic acid 2-[[5-[(4-tert-butylphenyl)sulfonyl-(2-methoxyethoxymethyl)amino]-4-iodo-1-methyl-3-pyrazolyl]oxy]ethyl ester IUPAC Name: 2-[5-[(4-tert-butylphenyl)sulfonyl-(2-methoxyethoxymethyl)amino]-4-iodo-1-methylpyrazol-3-yl]oxyethyl acetate Traditional Name: acetic acid 2-[5-[(4-tert-butylphenyl)sulfonyl-(2-methoxyethoxymethyl)amino]-4-iodo-1-methyl-pyrazol-3-yl]oxyethyl ester Formula: C22H32IN3O7S MolecularWeight: 609.47485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1=NN(C(=C1I)N(COCCOC)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CC(=O)OCCOC1=NN(C(=C1I)N(COCCOC)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C22H32IN3O7S/c1-16(27)32-13-14-33-20-19(23)21(25(5)24-20)26(15-31-12-11-30-6)34(28,29)18-9-7-17(8-10-18)22(2,3)4/h7-10H,11-15H2,1-6H3