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

Systemtic Name: 2-azanyl-8-bromanyl-5-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)quinoline-3-carboxylic acid Openeye Name: 2-amino-8-bromo-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridylmethyl)quinoline-3-carboxylic acid CAS Name: 2-amino-8-bromo-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridinylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-amino-8-bromo-5-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)quinoline-3-carboxylic acid Traditional Name: 2-amino-8-bromo-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridylmethyl)quinoline-3-carboxylic acid Formula: C23H18BrN3O5S MolecularWeight: 528.37512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C(C(=NC3=C(C=C2)Br)N)C(=O)O)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C(C(=NC3=C(C=C2)Br)N)C(=O)O)CC4=CN=CC=C4

InChI

InChI=1S/C23H18BrN3O5S/c1-32-14-4-6-15(7-5-14)33(30,31)18-9-8-17(24)21-19(18)16(11-13-3-2-10-26-12-13)20(23(28)29)22(25)27-21/h2-10,12H,11H2,1H3,(H2,25,27)(H,28,29)