4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-8-methoxy-quinoline-3-carboxylic acid

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-8-methoxy-quinoline-3-carboxylic acid Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-8-methoxy-quinoline-3-carboxylic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-8-methoxy-3-quinolinecarboxylic acid IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-8-methoxyquinoline-3-carboxylic acid Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-8-methoxy-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)N(C)C2=C3C=CC=C(C3=NC=C2C(=O)O)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C3C=CC=C(C3=NC=C2C(=O)O)OC

InChI

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