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

Systemtic Name: 8-iodanyl-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxylic acid Openeye Name: 8-iodo-4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]quinoline-3-carboxylic acid CAS Name: 8-iodo-4-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-3-quinolinecarboxylic acid IUPAC Name: 8-iodo-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]quinoline-3-carboxylic acid Traditional Name: 8-iodo-4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]quinoline-3-carboxylic acid Formula: C23H18IN3O5S MolecularWeight: 575.37559

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C23H18IN3O5S/c1-32-16-7-9-17(10-8-16)33(30,31)27(14-15-4-3-11-25-12-15)22-18-5-2-6-20(24)21(18)26-13-19(22)23(28)29/h2-13H,14H2,1H3,(H,28,29)