2-azanyl-5-(4-but-2-ynoxyphenyl)sulfonyl-8-methoxy-4-methyl-quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-5-(4-but-2-ynoxyphenyl)sulfonyl-8-methoxy-4-methyl-quinoline-3-carboxylic acid Openeye Name: 2-amino-5-(4-but-2-ynoxyphenyl)sulfonyl-8-methoxy-4-methyl-quinoline-3-carboxylic acid CAS Name: 2-amino-5-(4-but-2-ynoxyphenyl)sulfonyl-8-methoxy-4-methyl-3-quinolinecarboxylic acid IUPAC Name: 2-amino-5-(4-but-2-ynoxyphenyl)sulfonyl-8-methoxy-4-methylquinoline-3-carboxylic acid Traditional Name: 2-amino-5-(4-but-2-ynoxyphenyl)sulfonyl-8-methoxy-4-methyl-quinoline-3-carboxylic acid Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C(C(=NC3=C(C=C2)OC)N)C(=O)O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C(C(=NC3=C(C=C2)OC)N)C(=O)O)C

InChI

InChI=1S/C22H20N2O6S/c1-4-5-12-30-14-6-8-15(9-7-14)31(27,28)17-11-10-16(29-3)20-18(17)13(2)19(22(25)26)21(23)24-20/h6-11H,12H2,1-3H3,(H2,23,24)(H,25,26)