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

Systemtic Name: 8-bromanyl-2-[(4-methoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid Openeye Name: 8-bromo-2-[(4-methoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid CAS Name: 8-bromo-2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-quinolinecarboxylic acid IUPAC Name: 8-bromo-2-[(4-methoxyphenyl)sulfonyl-methylamino]quinoline-3-carboxylic acid Traditional Name: 8-bromo-2-[(4-methoxyphenyl)sulfonyl-methyl-amino]quinoline-3-carboxylic acid Formula: C18H15BrN2O5S MolecularWeight: 451.2911

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C2C=CC=C(C2=N1)Br)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C1=C(C=C2C=CC=C(C2=N1)Br)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H15BrN2O5S/c1-21(27(24,25)13-8-6-12(26-2)7-9-13)17-14(18(22)23)10-11-4-3-5-15(19)16(11)20-17/h3-10H,1-2H3,(H,22,23)