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

Systemtic Name: 6-bromanyl-2-[[4-(4-ethylsulfonylpiperazin-1-yl)carbonylphenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one Openeye Name: 6-bromo-2-[[4-(4-ethylsulfonylpiperazine-1-carbonyl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 6-bromo-2-[[4-[(4-ethylsulfonyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-bromo-2-[[4-(4-ethylsulfonylpiperazine-1-carbonyl)phenyl]methyl]-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 6-bromo-2-[4-(4-esylpiperazine-1-carbonyl)benzyl]-4-phenyl-3-propionyl-isocarbostyril Formula: C32H32BrN3O5S MolecularWeight: 650.58258

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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)C(=O)N4CCN(CC4)S(=O)(=O)CC)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)CC)C5=CC=CC=C5

InChI

InChI=1S/C32H32BrN3O5S/c1-3-28(37)30-29(23-8-6-5-7-9-23)27-20-25(33)14-15-26(27)32(39)36(30)21-22-10-12-24(13-11-22)31(38)34-16-18-35(19-17-34)42(40,41)4-2/h5-15,20H,3-4,16-19,21H2,1-2H3