4-[4-bromanyl-5-(4-methoxyphenyl)-3-methyl-pyrazol-1-yl]-2-(hydroxymethyl)benzenesulfonamide

Systemtic Name: 4-[4-bromanyl-5-(4-methoxyphenyl)-3-methyl-pyrazol-1-yl]-2-(hydroxymethyl)benzenesulfonamide Openeye Name: 4-[4-bromo-5-(4-methoxyphenyl)-3-methyl-pyrazol-1-yl]-2-(hydroxymethyl)benzenesulfonamide CAS Name: 4-[4-bromo-5-(4-methoxyphenyl)-3-methyl-1-pyrazolyl]-2-(hydroxymethyl)benzenesulfonamide IUPAC Name: 4-[4-bromo-5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-2-(hydroxymethyl)benzenesulfonamide Traditional Name: 4-[4-bromo-5-(4-methoxyphenyl)-3-methyl-pyrazol-1-yl]-2-methylol-benzenesulfonamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)S(=O)(=O)N)CO

Isomeric SMILES

CC1=NN(C(=C1Br)C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)S(=O)(=O)N)CO

InChI

InChI=1S/C18H18BrN3O4S/c1-11-17(19)18(12-3-6-15(26-2)7-4-12)22(21-11)14-5-8-16(27(20,24)25)13(9-14)10-23/h3-9,23H,10H2,1-2H3,(H2,20,24,25)