3-azanyl-4-(4-methylsulfonylphenyl)-6-(4-oxidanylpiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-4-(4-methylsulfonylphenyl)-6-(4-oxidanylpiperidin-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(4-hydroxy-1-piperidyl)-4-(4-methylsulfonylphenyl)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(4-hydroxy-1-piperidinyl)-4-(4-methylsulfonylphenyl)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(4-hydroxypiperidin-1-yl)-4-(4-methylsulfonylphenyl)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(4-hydroxypiperidino)-4-(4-mesylphenyl)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)O)N)N4CCC(CC4)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)O)N)N4CCC(CC4)O

InChI

InChI=1S/C20H21N3O5S2/c1-30(27,28)13-4-2-11(3-5-13)14-10-15(23-8-6-12(24)7-9-23)22-19-16(14)17(21)18(29-19)20(25)26/h2-5,10,12,24H,6-9,21H2,1H3,(H,25,26)