1-[2-[4-iodanyl-5-(4-methoxyphenyl)-1-(2-sulfamoylphenyl)pyrazol-3-yl]but-3-yn-2-yl]-1-oxidanyl-urea

Systemtic Name: 1-[2-[4-iodanyl-5-(4-methoxyphenyl)-1-(2-sulfamoylphenyl)pyrazol-3-yl]but-3-yn-2-yl]-1-oxidanyl-urea Openeye Name: 1-hydroxy-1-[1-[4-iodo-5-(4-methoxyphenyl)-1-(2-sulfamoylphenyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl]urea CAS Name: 1-hydroxy-1-[2-[4-iodo-5-(4-methoxyphenyl)-1-(2-sulfamoylphenyl)-3-pyrazolyl]but-3-yn-2-yl]urea IUPAC Name: 1-hydroxy-1-[2-[4-iodo-5-(4-methoxyphenyl)-1-(2-sulfamoylphenyl)pyrazol-3-yl]but-3-yn-2-yl]urea Traditional Name: 1-hydroxy-1-[1-[4-iodo-5-(4-methoxyphenyl)-1-(2-sulfamoylphenyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl]urea Formula: C21H20IN5O5S MolecularWeight: 581.38347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)(C1=NN(C(=C1I)C2=CC=C(C=C2)OC)C3=CC=CC=C3S(=O)(=O)N)N(C(=O)N)O

Isomeric SMILES

CC(C#C)(C1=NN(C(=C1I)C2=CC=C(C=C2)OC)C3=CC=CC=C3S(=O)(=O)N)N(C(=O)N)O

InChI

InChI=1S/C21H20IN5O5S/c1-4-21(2,27(29)20(23)28)19-17(22)18(13-9-11-14(32-3)12-10-13)26(25-19)15-7-5-6-8-16(15)33(24,30)31/h1,5-12,29H,2-3H3,(H2,23,28)(H2,24,30,31)