2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]isoquinolin-1-one

Systemtic Name: 2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]isoquinolin-1-one Openeye Name: 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-yl]methyl]isoquinolin-1-one CAS Name: 2-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-1-isoquinolinone IUPAC Name: 2-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]isoquinolin-1-one Traditional Name: 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazino]methyl]isocarbostyril Formula: C20H19BrClN3O3S MolecularWeight: 496.80516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C=CC3=CC=CC=C3C2=O)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CCN1CN2C=CC3=CC=CC=C3C2=O)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C20H19BrClN3O3S/c21-16-5-6-19(18(22)13-16)29(27,28)25-11-9-23(10-12-25)14-24-8-7-15-3-1-2-4-17(15)20(24)26/h1-8,13H,9-12,14H2