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

Systemtic Name: 4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-8-(phenylmethyl)quinoline-3-carboxylic acid Openeye Name: 8-benzyl-4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]quinoline-3-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-8-(phenylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 8-benzyl-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxylic acid Traditional Name: 8-benzyl-4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)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)N(CC2=CN=CC=C2)C3=C4C=CC=C(C4=NC=C3C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)C3=C4C=CC=C(C4=NC=C3C(=O)O)CC5=CC=CC=C5

InChI

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