1-(4-pyrrol-1-ylphenyl)sulfonyl-2H-isoquinolin-3-one

Systemtic Name: 1-(4-pyrrol-1-ylphenyl)sulfonyl-2H-isoquinolin-3-one Openeye Name: 1-(4-pyrrol-1-ylphenyl)sulfonyl-2H-isoquinolin-3-one CAS Name: 1-[4-(1-pyrrolyl)phenyl]sulfonyl-2H-isoquinolin-3-one IUPAC Name: 1-(4-pyrrol-1-ylphenyl)sulfonyl-2H-isoquinolin-3-one Traditional Name: 1-(4-pyrrol-1-ylphenyl)sulfonyl-3-isoquinolone Formula: C19H14N2O3S MolecularWeight: 350.39106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=O)NC(=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1=CC2=CC(=O)NC(=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C19H14N2O3S/c22-18-13-14-5-1-2-6-17(14)19(20-18)25(23,24)16-9-7-15(8-10-16)21-11-3-4-12-21/h1-13H,(H,20,22)