2-azanyl-8-ethenyl-5-ethyl-4-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-8-ethenyl-5-ethyl-4-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid Openeye Name: 2-amino-5-ethyl-4-(4-methoxyphenyl)sulfonyl-8-vinyl-quinoline-3-carboxylic acid CAS Name: 2-amino-8-ethenyl-5-ethyl-4-(4-methoxyphenyl)sulfonyl-3-quinolinecarboxylic acid IUPAC Name: 2-amino-8-ethenyl-5-ethyl-4-(4-methoxyphenyl)sulfonylquinoline-3-carboxylic acid Traditional Name: 2-amino-5-ethyl-4-(4-methoxyphenyl)sulfonyl-8-vinyl-quinoline-3-carboxylic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C=C1)C=C)N=C(C(=C2S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)N

Isomeric SMILES

CCC1=C2C(=C(C=C1)C=C)N=C(C(=C2S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)N

InChI

InChI=1S/C21H20N2O5S/c1-4-12-6-7-13(5-2)18-16(12)19(17(21(24)25)20(22)23-18)29(26,27)15-10-8-14(28-3)9-11-15/h5-11H,2,4H2,1,3H3,(H2,22,23)(H,24,25)