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

Systemtic Name: 3-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-(4-brosylpiperazine-1-carbonyl)isocarbostyril Formula: C20H18BrN3O4S MolecularWeight: 476.34362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3C(=O)N2)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O4S/c21-15-5-7-16(8-6-15)29(27,28)24-11-9-23(10-12-24)20(26)18-13-14-3-1-2-4-17(14)19(25)22-18/h1-8,13H,9-12H2,(H,22,25)