4-(4-bromophenyl)-6-chloranyl-2-[(4-methylsulfonylphenyl)methyl]-3-propanoyl-isoquinolin-1-one

Systemtic Name: 4-(4-bromophenyl)-6-chloranyl-2-[(4-methylsulfonylphenyl)methyl]-3-propanoyl-isoquinolin-1-one Openeye Name: 4-(4-bromophenyl)-6-chloro-2-[(4-methylsulfonylphenyl)methyl]-3-propanoyl-isoquinolin-1-one CAS Name: 4-(4-bromophenyl)-6-chloro-2-[(4-methylsulfonylphenyl)methyl]-3-(1-oxopropyl)-1-isoquinolinone IUPAC Name: 4-(4-bromophenyl)-6-chloro-2-[(4-methylsulfonylphenyl)methyl]-3-propanoylisoquinolin-1-one Traditional Name: 4-(4-bromophenyl)-6-chloro-2-(4-mesylbenzyl)-3-propionyl-isocarbostyril Formula: C26H21BrClNO4S MolecularWeight: 558.87124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H21BrClNO4S/c1-3-23(30)25-24(17-6-8-18(27)9-7-17)22-14-19(28)10-13-21(22)26(31)29(25)15-16-4-11-20(12-5-16)34(2,32)33/h4-14H,3,15H2,1-2H3