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

Systemtic Name: 2-ethyl-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid Openeye Name: 2-ethyl-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid CAS Name: 2-ethyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-3-quinolinecarboxylic acid IUPAC Name: 2-ethyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]quinoline-3-carboxylic acid Traditional Name: 2-ethyl-4-[(4-methoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)O)N(C)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)O)N(C)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N2O5S/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/h5-12H,4H2,1-3H3,(H,23,24)