2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-3-oxidanyl-prop-1-enyl]phenyl]quinolin-6-yl]propanenitrile

Systemtic Name: 2-methyl-2-[8-[3-[(Z)-2-(4-methylsulfonylphenyl)-3-oxidanyl-prop-1-enyl]phenyl]quinolin-6-yl]propanenitrile Openeye Name: 2-[8-[3-[(Z)-3-hydroxy-2-(4-methylsulfonylphenyl)prop-1-enyl]phenyl]-6-quinolyl]-2-methyl-propanenitrile CAS Name: 2-[8-[3-[(Z)-3-hydroxy-2-(4-methylsulfonylphenyl)prop-1-enyl]phenyl]-6-quinolinyl]-2-methylpropanenitrile IUPAC Name: 2-[8-[3-[(Z)-3-hydroxy-2-(4-methylsulfonylphenyl)prop-1-enyl]phenyl]quinolin-6-yl]-2-methylpropanenitrile Traditional Name: 2-[8-[3-[(Z)-3-hydroxy-2-(4-mesylphenyl)prop-1-enyl]phenyl]-6-quinolyl]-2-methyl-propionitrile Formula: C29H26N2O3S MolecularWeight: 482.59334

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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)C=C(CO)C4=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)/C=C(\CO)/C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C29H26N2O3S/c1-29(2,19-30)25-16-23-8-5-13-31-28(23)27(17-25)22-7-4-6-20(14-22)15-24(18-32)21-9-11-26(12-10-21)35(3,33)34/h4-17,32H,18H2,1-3H3/b24-15+