3-azanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(4-pyrrolidin-1-ylsulfonylphenyl)thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-N-(4-pyrrolidin-1-ylsulfonylphenyl)thieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(4-pyrrolidinosulfonylphenyl)thieno[2,3-b]quinoline-2-carboxamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC5=CC=CC=C5N=C4S3)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC5=CC=CC=C5N=C4S3)N

InChI

InChI=1S/C22H20N4O3S2/c23-19-17-13-14-5-1-2-6-18(14)25-22(17)30-20(19)21(27)24-15-7-9-16(10-8-15)31(28,29)26-11-3-4-12-26/h1-2,5-10,13H,3-4,11-12,23H2,(H,24,27)