4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-[(4-phenylphenyl)sulfonyl-(3-pyridylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-[(4-phenylphenyl)sulfonyl-(3-pyridinylmethyl)amino]-7-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-[(4-phenylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-[(4-phenylphenyl)sulfonyl-(3-pyridylmethyl)amino]-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)N(CC3=CN=CC=C3)C4=C5C=CC(=CC5=NC=C4C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CN=CC=C3)C4=C5C=CC(=CC5=NC=C4C(=O)O)C(F)(F)F

InChI

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