3-azanyl-4-[4-(phenylsulfonyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-4-[4-(phenylsulfonyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-4-[4-(benzenesulfonyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-4-[4-(benzenesulfonyl)-1-piperazinyl]-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-4-[4-(benzenesulfonyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-(4-besylpiperazino)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C18H18N4O4S2 MolecularWeight: 418.48992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C(=C(SC3=NC=C2)C(=O)O)N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C3C(=C(SC3=NC=C2)C(=O)O)N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H18N4O4S2/c19-15-14-13(6-7-20-17(14)27-16(15)18(23)24)21-8-10-22(11-9-21)28(25,26)12-4-2-1-3-5-12/h1-7H,8-11,19H2,(H,23,24)