4-[3-[1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4-oxidanylidene-quinolin-6-yl]prop-2-ynyl]benzenecarbonitrile

Systemtic Name: 4-[3-[1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4-oxidanylidene-quinolin-6-yl]prop-2-ynyl]benzenecarbonitrile Openeye Name: 4-[3-[1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4-oxo-6-quinolyl]prop-2-ynyl]benzonitrile CAS Name: 4-[3-[1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4-oxo-6-quinolinyl]prop-2-ynyl]benzonitrile IUPAC Name: 4-[3-[1-methyl-3-[(4-methylsulfonylphenyl)methyl]-4-oxoquinolin-6-yl]prop-2-ynyl]benzonitrile Traditional Name: 4-[3-[4-keto-3-(4-mesylbenzyl)-1-methyl-6-quinolyl]prop-2-ynyl]benzonitrile Formula: C28H22N2O3S MolecularWeight: 466.55088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCC3=CC=C(C=C3)C#N)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCC3=CC=C(C=C3)C#N)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C28H22N2O3S/c1-30-19-24(16-22-10-13-25(14-11-22)34(2,32)33)28(31)26-17-21(12-15-27(26)30)5-3-4-20-6-8-23(18-29)9-7-20/h6-15,17,19H,4,16H2,1-2H3