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

Systemtic Name: 3-azanyl-4-methylsulfanyl-6-[4-(methylsulfonylamino)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-(methanesulfonamido)-1-piperidyl]-4-methylsulfanyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-(methanesulfonamido)-1-piperidinyl]-4-(methylthio)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-(methanesulfonamido)piperidin-1-yl]-4-methylsulfanylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-(methanesulfonamido)piperidino]-4-(methylthio)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C15H20N4O4S3 MolecularWeight: 416.5387

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NS(=O)(=O)C

Isomeric SMILES

CSC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NS(=O)(=O)C

InChI

InChI=1S/C15H20N4O4S3/c1-24-9-7-10(17-14-11(9)12(16)13(25-14)15(20)21)19-5-3-8(4-6-19)18-26(2,22)23/h7-8,18H,3-6,16H2,1-2H3,(H,20,21)