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

Systemtic Name: 3-azanyl-6-[4-[(4-methylphenyl)sulfonylamino]-3-oxidanyl-piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[3-hydroxy-4-(p-tolylsulfonylamino)-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[3-hydroxy-4-[(4-methylphenyl)sulfonylamino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[3-hydroxy-4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[3-hydroxy-4-(tosylamino)piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C23H28N4O5S2 MolecularWeight: 504.62222

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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)C4=CC=C(C=C4)C

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(C(C3)O)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H28N4O5S2/c1-3-4-14-11-18(25-22-19(14)20(24)21(33-22)23(29)30)27-10-9-16(17(28)12-27)26-34(31,32)15-7-5-13(2)6-8-15/h5-8,11,16-17,26,28H,3-4,9-10,12,24H2,1-2H3,(H,29,30)