N-[1-[(2-azanylquinolin-7-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide

Systemtic Name: N-[1-[(2-azanylquinolin-7-yl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide Openeye Name: N-[1-[(2-amino-7-quinolyl)methyl]-2-oxo-pyrrolidin-3-yl]benzothiophene-2-sulfonamide CAS Name: N-[1-[(2-amino-7-quinolinyl)methyl]-2-oxo-3-pyrrolidinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: N-[1-[(2-aminoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide Traditional Name: N-[1-[(2-amino-7-quinolyl)methyl]-2-keto-pyrrolidin-3-yl]benzothiophene-2-sulfonamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=CC=CC=C3S2)CC4=CC5=C(C=C4)C=CC(=N5)N

Isomeric SMILES

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=CC=CC=C3S2)CC4=CC5=C(C=C4)C=CC(=N5)N

InChI

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