4-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]pyrazole-1-sulfonic acid

Systemtic Name: 4-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]pyrazole-1-sulfonic acid Openeye Name: 4-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]pyrazole-1-sulfonic acid CAS Name: 4-[4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]-1-pyrazolesulfonic acid IUPAC Name: 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]pyrazole-1-sulfonic acid Traditional Name: 4-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]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=CC=C(C=C2)C3=CN(N=C3)S(=O)(=O)O

Isomeric SMILES

CC(C(CCC1=CN=CC=C1)O)OC2=CC=C(C=C2)C3=CN(N=C3)S(=O)(=O)O

InChI

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