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

Systemtic Name: 8-bromanyl-4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid Openeye Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid CAS Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-3-quinolinecarboxylic acid IUPAC Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]quinoline-3-carboxylic acid Traditional Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid Formula: C21H17BrN2O5S MolecularWeight: 489.33908

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O5S/c1-3-4-12-29-14-8-10-15(11-9-14)30(27,28)24(2)20-16-6-5-7-18(22)19(16)23-13-17(20)21(25)26/h5-11,13H,12H2,1-2H3,(H,25,26)