4-[3-(hydroxymethyl)-5-(3-iodanyl-4-methoxy-phenyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[3-(hydroxymethyl)-5-(3-iodanyl-4-methoxy-phenyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[3-(hydroxymethyl)-5-(3-iodo-4-methoxy-phenyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[3-(hydroxymethyl)-5-(3-iodo-4-methoxyphenyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[3-(hydroxymethyl)-5-(3-iodo-4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-(3-iodo-4-methoxy-phenyl)-3-methylol-pyrazol-1-yl]benzenesulfonamide Formula: C17H16IN3O4S MolecularWeight: 485.29611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)CO)I

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)CO)I

InChI

InChI=1S/C17H16IN3O4S/c1-25-17-7-2-11(8-15(17)18)16-9-12(10-22)20-21(16)13-3-5-14(6-4-13)26(19,23)24/h2-9,22H,10H2,1H3,(H2,19,23,24)