6-bromanyl-2-[[4-(3-oxidanylpropylsulfonyl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-2-[[4-(3-oxidanylpropylsulfonyl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one Openeye Name: 6-bromo-2-[[4-(3-hydroxypropylsulfonyl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 6-bromo-2-[[4-(3-hydroxypropylsulfonyl)phenyl]methyl]-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-bromo-2-[[4-(3-hydroxypropylsulfonyl)phenyl]methyl]-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 6-bromo-2-[4-(3-hydroxypropylsulfonyl)benzyl]-4-phenyl-3-propionyl-isocarbostyril Formula: C28H26BrNO5S MolecularWeight: 568.47874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26BrNO5S/c1-2-25(32)27-26(20-7-4-3-5-8-20)24-17-21(29)11-14-23(24)28(33)30(27)18-19-9-12-22(13-10-19)36(34,35)16-6-15-31/h3-5,7-14,17,31H,2,6,15-16,18H2,1H3