2-azanyl-8-bromanyl-4-(4-methoxyphenyl)sulfonyl-5-methyl-quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-8-bromanyl-4-(4-methoxyphenyl)sulfonyl-5-methyl-quinoline-3-carboxylic acid Openeye Name: 2-amino-8-bromo-4-(4-methoxyphenyl)sulfonyl-5-methyl-quinoline-3-carboxylic acid CAS Name: 2-amino-8-bromo-4-(4-methoxyphenyl)sulfonyl-5-methyl-3-quinolinecarboxylic acid IUPAC Name: 2-amino-8-bromo-4-(4-methoxyphenyl)sulfonyl-5-methylquinoline-3-carboxylic acid Traditional Name: 2-amino-8-bromo-4-(4-methoxyphenyl)sulfonyl-5-methyl-quinoline-3-carboxylic acid Formula: C18H15BrN2O5S MolecularWeight: 451.2911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Br)N=C(C(=C2S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)N

Isomeric SMILES

CC1=C2C(=C(C=C1)Br)N=C(C(=C2S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)N

InChI

InChI=1S/C18H15BrN2O5S/c1-9-3-8-12(19)15-13(9)16(14(18(22)23)17(20)21-15)27(24,25)11-6-4-10(26-2)5-7-11/h3-8H,1-2H3,(H2,20,21)(H,22,23)