8-ethenyl-4-[ethyl-(4-methoxyphenyl)sulfonyl-amino]quinoline-3-carboxylic acid

Systemtic Name: 8-ethenyl-4-[ethyl-(4-methoxyphenyl)sulfonyl-amino]quinoline-3-carboxylic acid Openeye Name: 4-[ethyl-(4-methoxyphenyl)sulfonyl-amino]-8-vinyl-quinoline-3-carboxylic acid CAS Name: 8-ethenyl-4-[ethyl-(4-methoxyphenyl)sulfonylamino]-3-quinolinecarboxylic acid IUPAC Name: 8-ethenyl-4-[ethyl-(4-methoxyphenyl)sulfonylamino]quinoline-3-carboxylic acid Traditional Name: 4-[ethyl-(4-methoxyphenyl)sulfonyl-amino]-8-vinyl-quinoline-3-carboxylic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C2C=CC=C(C2=NC=C1C(=O)O)C=C)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(C1=C2C=CC=C(C2=NC=C1C(=O)O)C=C)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O5S/c1-4-14-7-6-8-17-19(14)22-13-18(21(24)25)20(17)23(5-2)29(26,27)16-11-9-15(28-3)10-12-16/h4,6-13H,1,5H2,2-3H3,(H,24,25)