8-isoquinolin-7-yl-2-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 8-isoquinolin-7-yl-2-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 8-(7-isoquinolyl)-2-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 8-(7-isoquinolinyl)-2-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 8-isoquinolin-7-yl-2-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 8-(7-isoquinolyl)-2-[4-(2-mesylphenyl)phenyl]-3,4-dihydroisocarbostyril Formula: C31H24N2O3S MolecularWeight: 504.59886

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)N3CCC4=CC=CC(=C4C3=O)C5=CC6=C(C=C5)C=CN=C6

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)N3CCC4=CC=CC(=C4C3=O)C5=CC6=C(C=C5)C=CN=C6

InChI

InChI=1S/C31H24N2O3S/c1-37(35,36)29-8-3-2-6-27(29)22-11-13-26(14-12-22)33-18-16-23-5-4-7-28(30(23)31(33)34)24-10-9-21-15-17-32-20-25(21)19-24/h2-15,17,19-20H,16,18H2,1H3