4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxy-3-phenyl-pyrazole-1-sulfonic acid

Systemtic Name: 4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxy-3-phenyl-pyrazole-1-sulfonic acid Openeye Name: 4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]-3-phenyl-pyrazole-1-sulfonic acid CAS Name: 4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxy-3-phenyl-1-pyrazolesulfonic acid IUPAC Name: 4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylpyrazole-1-sulfonic acid Traditional Name: 4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]-3-phenyl-pyrazole-1-sulfonic acid Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC1=CN=CC=C1)O)OC2=CN(N=C2C3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC(C(CCC1=CN=CC=C1)O)OC2=CN(N=C2C3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C19H21N3O5S/c1-14(17(23)10-9-15-6-5-11-20-12-15)27-18-13-22(28(24,25)26)21-19(18)16-7-3-2-4-8-16/h2-8,11-14,17,23H,9-10H2,1H3,(H,24,25,26)