4-azanyl-6-ethyl-2-ethynyl-5-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid

Systemtic Name: 4-azanyl-6-ethyl-2-ethynyl-5-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid Openeye Name: 4-amino-6-ethyl-2-ethynyl-5-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid CAS Name: 4-amino-6-ethyl-2-ethynyl-5-(4-methoxyphenyl)sulfonyl-3-quinolinecarboxylic acid IUPAC Name: 4-amino-6-ethyl-2-ethynyl-5-(4-methoxyphenyl)sulfonylquinoline-3-carboxylic acid Traditional Name: 4-amino-6-ethyl-2-ethynyl-5-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C(N=C2C=C1)C#C)C(=O)O)N)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C(C2=C(C(=C(N=C2C=C1)C#C)C(=O)O)N)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H18N2O5S/c1-4-12-6-11-16-17(19(22)18(21(24)25)15(5-2)23-16)20(12)29(26,27)14-9-7-13(28-3)8-10-14/h2,6-11H,4H2,1,3H3,(H2,22,23)(H,24,25)