benzene; 2-ethynyl-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid

Systemtic Name: benzene; 2-ethynyl-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid Openeye Name: benzene; 2-ethynyl-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid CAS Name: benzene; 2-ethynyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-3-quinolinecarboxylic acid IUPAC Name: benzene; 2-ethynyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]quinoline-3-carboxylic acid Traditional Name: benzene; 2-ethynyl-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C(=NC2=CC=CC=C21)C#C)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC.C1=CC=CC=C1

Isomeric SMILES

CN(C1=C(C(=NC2=CC=CC=C21)C#C)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC.C1=CC=CC=C1

InChI

InChI=1S/C20H16N2O5S.C6H6/c1-4-16-18(20(23)24)19(15-7-5-6-8-17(15)21-16)22(2)28(25,26)14-11-9-13(27-3)10-12-14;1-2-4-6-5-3-1/h1,5-12H,2-3H3,(H,23,24);1-6H