2-methyl-2-[8-[3-[[(4-methylsulfonylphenyl)amino]methyl]phenyl]quinolin-6-yl]propanenitrile

Systemtic Name: 2-methyl-2-[8-[3-[[(4-methylsulfonylphenyl)amino]methyl]phenyl]quinolin-6-yl]propanenitrile Openeye Name: 2-methyl-2-[8-[3-[(4-methylsulfonylanilino)methyl]phenyl]-6-quinolyl]propanenitrile CAS Name: 2-methyl-2-[8-[3-[(4-methylsulfonylanilino)methyl]phenyl]-6-quinolinyl]propanenitrile IUPAC Name: 2-methyl-2-[8-[3-[(4-methylsulfonylanilino)methyl]phenyl]quinolin-6-yl]propanenitrile Traditional Name: 2-[8-[3-[(4-mesylanilino)methyl]phenyl]-6-quinolyl]-2-methyl-propionitrile Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CNC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C#N)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CNC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H25N3O2S/c1-27(2,18-28)22-15-21-8-5-13-29-26(21)25(16-22)20-7-4-6-19(14-20)17-30-23-9-11-24(12-10-23)33(3,31)32/h4-16,30H,17H2,1-3H3