3-ethanoyl-4-[(4-methoxyphenoxy)sulfinyl-methyl-amino]-6-(2-phenylethynyl)quinoline

Systemtic Name: 3-ethanoyl-4-[(4-methoxyphenoxy)sulfinyl-methyl-amino]-6-(2-phenylethynyl)quinoline Openeye Name: 3-acetyl-4-[(4-methoxyphenoxy)sulfinyl-methyl-amino]-6-(2-phenylethynyl)quinoline CAS Name: 3-acetyl-4-[(4-methoxyphenoxy)sulfinyl-methylamino]-6-(2-phenylethynyl)quinoline IUPAC Name: 3-acetyl-4-[(4-methoxyphenoxy)sulfinyl-methylamino]-6-(2-phenylethynyl)quinoline Traditional Name: 3-acetyl-4-[(4-methoxyphenoxy)sulfinyl-methyl-amino]-6-(2-phenylethynyl)quinoline Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN=C2C=CC(=CC2=C1N(C)S(=O)OC3=CC=C(C=C3)OC)C#CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CN=C2C=CC(=CC2=C1N(C)S(=O)OC3=CC=C(C=C3)OC)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H22N2O4S/c1-19(30)25-18-28-26-16-11-21(10-9-20-7-5-4-6-8-20)17-24(26)27(25)29(2)34(31)33-23-14-12-22(32-3)13-15-23/h4-8,11-18H,1-3H3