4-[ethyl-(4-methoxyphenyl)sulfonyl-amino]-6-(2-phenylethynyl)quinoline-3-carboxylic acid

Systemtic Name: 4-[ethyl-(4-methoxyphenyl)sulfonyl-amino]-6-(2-phenylethynyl)quinoline-3-carboxylic acid Openeye Name: 4-[ethyl-(4-methoxyphenyl)sulfonyl-amino]-6-(2-phenylethynyl)quinoline-3-carboxylic acid CAS Name: 4-[ethyl-(4-methoxyphenyl)sulfonylamino]-6-(2-phenylethynyl)-3-quinolinecarboxylic acid IUPAC Name: 4-[ethyl-(4-methoxyphenyl)sulfonylamino]-6-(2-phenylethynyl)quinoline-3-carboxylic acid Traditional Name: 4-[ethyl-(4-methoxyphenyl)sulfonyl-amino]-6-(2-phenylethynyl)quinoline-3-carboxylic acid Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C2C=C(C=CC2=NC=C1C(=O)O)C#CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN(C1=C2C=C(C=CC2=NC=C1C(=O)O)C#CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H22N2O5S/c1-3-29(35(32,33)22-14-12-21(34-2)13-15-22)26-23-17-20(10-9-19-7-5-4-6-8-19)11-16-25(23)28-18-24(26)27(30)31/h4-8,11-18H,3H2,1-2H3,(H,30,31)