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

Systemtic Name: 4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxy-3-phenyl-thiophene-2-sulfonic acid Openeye Name: 4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]-3-phenyl-thiophene-2-sulfonic acid CAS Name: 4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxy-3-phenyl-2-thiophenesulfonic acid IUPAC Name: 4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylthiophene-2-sulfonic acid Traditional Name: 4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]-3-phenyl-thiophene-2-sulfonic acid Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S2/c1-14(17(22)10-9-15-6-5-11-21-12-15)26-18-13-27-20(28(23,24)25)19(18)16-7-3-2-4-8-16/h2-8,11-14,17,22H,9-10H2,1H3,(H,23,24,25)