2-[3-(1-azanylethenyl)phenyl]-8-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[3-(1-azanylethenyl)phenyl]-8-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[3-(1-aminovinyl)phenyl]-8-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[3-(1-aminoethenyl)phenyl]-8-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[3-(1-aminoethenyl)phenyl]-8-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[3-(1-aminovinyl)phenyl]-8-[4-(2-mesylphenyl)phenyl]-3,4-dihydroisocarbostyril Formula: C30H26N2O3S MolecularWeight: 494.60404

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)C3=C4C(=CC=C3)CCN(C4=O)C5=CC=CC(=C5)C(=C)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)C3=C4C(=CC=C3)CCN(C4=O)C5=CC=CC(=C5)C(=C)N

InChI

InChI=1S/C30H26N2O3S/c1-20(31)24-8-5-9-25(19-24)32-18-17-23-7-6-11-27(29(23)30(32)33)22-15-13-21(14-16-22)26-10-3-4-12-28(26)36(2,34)35/h3-16,19H,1,17-18,31H2,2H3