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

Systemtic Name: 3-azanyl-4-[4-(phenylsulfonyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-4-[4-(benzenesulfonyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-4-[4-(benzenesulfonyl)-1-piperazinyl]-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-4-[4-(benzenesulfonyl)piperazin-1-yl]thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-4-(4-besylpiperazino)thieno[2,3-b]pyridine-2-carboxamide Formula: C18H19N5O3S2 MolecularWeight: 417.50516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O3S2/c19-15-14-13(6-7-21-18(14)27-16(15)17(20)24)22-8-10-23(11-9-22)28(25,26)12-4-2-1-3-5-12/h1-7H,8-11,19H2,(H2,20,24)