2-azanyl-5-(4-phenylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-5-(4-phenylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 2-amino-5-(4-phenylphenyl)sulfonyl-4-(3-pyridylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 2-amino-5-(4-phenylphenyl)sulfonyl-4-(3-pyridinylmethyl)-7-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-amino-5-(4-phenylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 2-amino-5-(4-phenylphenyl)sulfonyl-4-(3-pyridylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C29H20F3N3O4S MolecularWeight: 563.54701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C3=CC(=CC4=NC(=C(C(=C34)CC5=CN=CC=C5)C(=O)O)N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C3=CC(=CC4=NC(=C(C(=C34)CC5=CN=CC=C5)C(=O)O)N)C(F)(F)F

InChI

InChI=1S/C29H20F3N3O4S/c30-29(31,32)20-14-23-25(22(13-17-5-4-12-34-16-17)26(28(36)37)27(33)35-23)24(15-20)40(38,39)21-10-8-19(9-11-21)18-6-2-1-3-7-18/h1-12,14-16H,13H2,(H2,33,35)(H,36,37)