3-azanyl-6-[4-(methylsulfonylamino)-3-oxidanyl-piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-[4-(methylsulfonylamino)-3-oxidanyl-piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[3-hydroxy-4-(methanesulfonamido)-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[3-hydroxy-4-(methanesulfonamido)-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[3-hydroxy-4-(methanesulfonamido)piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[3-hydroxy-4-(methanesulfonamido)piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C17H24N4O5S2 MolecularWeight: 428.52626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(C(C3)O)NS(=O)(=O)C

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(C(C3)O)NS(=O)(=O)C

InChI

InChI=1S/C17H24N4O5S2/c1-3-4-9-7-12(19-16-13(9)14(18)15(27-16)17(23)24)21-6-5-10(11(22)8-21)20-28(2,25)26/h7,10-11,20,22H,3-6,8,18H2,1-2H3,(H,23,24)