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

Systemtic Name: 2-[[(4-methoxyphenyl)sulfonyl-pyridin-3-yl-methyl]amino]-8-(phenylmethyl)quinoline-3-carboxylic acid Openeye Name: 8-benzyl-2-[[(4-methoxyphenyl)sulfonyl-(3-pyridyl)methyl]amino]quinoline-3-carboxylic acid CAS Name: 2-[[(4-methoxyphenyl)sulfonyl-(3-pyridinyl)methyl]amino]-8-(phenylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 8-benzyl-2-[[(4-methoxyphenyl)sulfonyl-pyridin-3-ylmethyl]amino]quinoline-3-carboxylic acid Traditional Name: 8-benzyl-2-[[(4-methoxyphenyl)sulfonyl-(3-pyridyl)methyl]amino]quinoline-3-carboxylic acid Formula: C30H25N3O5S MolecularWeight: 539.6016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(C2=CN=CC=C2)NC3=C(C=C4C=CC=C(C4=N3)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(C2=CN=CC=C2)NC3=C(C=C4C=CC=C(C4=N3)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H25N3O5S/c1-38-24-12-14-25(15-13-24)39(36,37)29(23-11-6-16-31-19-23)33-28-26(30(34)35)18-22-10-5-9-21(27(22)32-28)17-20-7-3-2-4-8-20/h2-16,18-19,29H,17H2,1H3,(H,32,33)(H,34,35)