(E)-3-(2-chloranyl-6-methoxy-quinolin-3-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2-chloranyl-6-methoxy-quinolin-3-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(2-chloro-6-methoxy-3-quinolyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(2-chloro-6-methoxy-3-quinolinyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(2-chloro-6-methoxyquinolin-3-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(2-chloro-6-methoxy-3-quinolyl)-2-tosyl-acrylonitrile Formula: C20H15ClN2O3S MolecularWeight: 398.8627

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C=CC(=CC3=C2)OC)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(N=C3C=CC(=CC3=C2)OC)Cl)/C#N

InChI

InChI=1S/C20H15ClN2O3S/c1-13-3-6-17(7-4-13)27(24,25)18(12-22)11-15-9-14-10-16(26-2)5-8-19(14)23-20(15)21/h3-11H,1-2H3/b18-11+