8-bromanyl-4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-N-oxidanyl-quinoline-3-carboxamide

Systemtic Name: 8-bromanyl-4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-N-oxidanyl-quinoline-3-carboxamide Openeye Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carbohydroxamic acid CAS Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-quinolinecarboxamide IUPAC Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxyquinoline-3-carboxamide Traditional Name: 8-bromo-4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carbohydroxamic acid Formula: C21H18BrN3O5S MolecularWeight: 504.35372

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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)NO)Br

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C3C=CC=C(C3=NC=C2C(=O)NO)Br

InChI

InChI=1S/C21H18BrN3O5S/c1-3-4-12-30-14-8-10-15(11-9-14)31(28,29)25(2)20-16-6-5-7-18(22)19(16)23-13-17(20)21(26)24-27/h5-11,13,27H,12H2,1-2H3,(H,24,26)