3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-(4-nosylpiperazine-1-carbonyl)isocarbostyril Formula: C20H18N4O6S MolecularWeight: 442.44512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6S/c25-19-17-4-2-1-3-14(17)13-18(21-19)20(26)22-9-11-23(12-10-22)31(29,30)16-7-5-15(6-8-16)24(27)28/h1-8,13H,9-12H2,(H,21,25)