8-[3-[2,2-bis(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(2-methylbut-3-yn-2-yl)quinoline

Systemtic Name: 8-[3-[2,2-bis(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(2-methylbut-3-yn-2-yl)quinoline Openeye Name: 8-[3-[2,2-bis(4-methylsulfonylphenyl)vinyl]phenyl]-6-(1,1-dimethylprop-2-ynyl)quinoline CAS Name: 8-[3-[2,2-bis(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(2-methylbut-3-yn-2-yl)quinoline IUPAC Name: 8-[3-[2,2-bis(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(2-methylbut-3-yn-2-yl)quinoline Traditional Name: 8-[3-[2,2-bis(4-mesylphenyl)vinyl]phenyl]-6-(1,1-dimethylprop-2-ynyl)quinoline Formula: C36H31NO4S2 MolecularWeight: 605.76564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C=C(C4=CC=C(C=C4)S(=O)(=O)C)C5=CC=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CC(C)(C#C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C=C(C4=CC=C(C=C4)S(=O)(=O)C)C5=CC=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C36H31NO4S2/c1-6-36(2,3)30-23-29-11-8-20-37-35(29)34(24-30)28-10-7-9-25(21-28)22-33(26-12-16-31(17-13-26)42(4,38)39)27-14-18-32(19-15-27)43(5,40)41/h1,7-24H,2-5H3