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

Systemtic Name: 2-azanyl-5-(4-methoxyphenyl)sulfonyl-8-(phenylmethyl)-4-(pyridin-3-ylmethyl)quinoline-3-carboxylic acid Openeye Name: 2-amino-8-benzyl-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridylmethyl)quinoline-3-carboxylic acid CAS Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-8-(phenylmethyl)-4-(3-pyridinylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-amino-8-benzyl-5-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)quinoline-3-carboxylic acid Traditional Name: 2-amino-8-benzyl-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridylmethyl)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)C2=C3C(=C(C(=NC3=C(C=C2)CC4=CC=CC=C4)N)C(=O)O)CC5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C(C(=NC3=C(C=C2)CC4=CC=CC=C4)N)C(=O)O)CC5=CN=CC=C5

InChI

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