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

Systemtic Name: 3-azanyl-6-(4-azanylpiperidin-1-yl)-4-(4-methylsulfonylphenyl)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(4-amino-1-piperidyl)-4-(4-methylsulfonylphenyl)thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(4-amino-1-piperidinyl)-4-(4-methylsulfonylphenyl)-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(4-aminopiperidin-1-yl)-4-(4-methylsulfonylphenyl)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(4-aminopiperidino)-4-(4-mesylphenyl)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S2/c1-30(27,28)13-4-2-11(3-5-13)14-10-15(24-8-6-12(21)7-9-24)23-19-16(14)17(22)18(29-19)20(25)26/h2-5,10,12H,6-9,21-22H2,1H3,(H,25,26)