3-azanyl-6-bromanyl-5-[(E)-4-methylpent-2-enoyl]-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-azanyl-6-bromanyl-5-[(E)-4-methylpent-2-enoyl]-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-isoquinolin-1-one Openeye Name: 3-amino-6-bromo-5-[(E)-4-methylpent-2-enoyl]-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-isoquinolin-1-one CAS Name: 3-amino-6-bromo-5-[(E)-4-methyl-1-oxopent-2-enyl]-2-[(4-methylsulfonylphenyl)methyl]-4-phenyl-1-isoquinolinone IUPAC Name: 3-amino-6-bromo-5-[(E)-4-methylpent-2-enoyl]-2-[(4-methylsulfonylphenyl)methyl]-4-phenylisoquinolin-1-one Traditional Name: 3-amino-6-bromo-2-(4-mesylbenzyl)-5-[(E)-4-methylpent-2-enoyl]-4-phenyl-isocarbostyril Formula: C29H27BrN2O4S MolecularWeight: 579.50468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC(=O)C1=C(C=CC2=C1C(=C(N(C2=O)CC3=CC=C(C=C3)S(=O)(=O)C)N)C4=CC=CC=C4)Br

Isomeric SMILES

CC(C)/C=C/C(=O)C1=C(C=CC2=C1C(=C(N(C2=O)CC3=CC=C(C=C3)S(=O)(=O)C)N)C4=CC=CC=C4)Br

InChI

InChI=1S/C29H27BrN2O4S/c1-18(2)9-16-24(33)27-23(30)15-14-22-26(27)25(20-7-5-4-6-8-20)28(31)32(29(22)34)17-19-10-12-21(13-11-19)37(3,35)36/h4-16,18H,17,31H2,1-3H3/b16-9+