[4-(cyanomethyl)phenyl] 3-methylquinoline-8-sulfonate

Systemtic Name: [4-(cyanomethyl)phenyl] 3-methylquinoline-8-sulfonate Openeye Name: [4-(cyanomethyl)phenyl] 3-methylquinoline-8-sulfonate CAS Name: 3-methyl-8-quinolinesulfonic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-methylquinoline-8-sulfonate Traditional Name: 3-methylquinoline-8-sulfonic acid [4-(cyanomethyl)phenyl] ester Formula: C18H14N2O3S MolecularWeight: 338.38036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)OC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C18H14N2O3S/c1-13-11-15-3-2-4-17(18(15)20-12-13)24(21,22)23-16-7-5-14(6-8-16)9-10-19/h2-8,11-12H,9H2,1H3