2-azanyl-5-ethyl-8-iodanyl-4-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-5-ethyl-8-iodanyl-4-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid Openeye Name: 2-amino-5-ethyl-8-iodo-4-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid CAS Name: 2-amino-5-ethyl-8-iodo-4-(4-methoxyphenyl)sulfonyl-3-quinolinecarboxylic acid IUPAC Name: 2-amino-5-ethyl-8-iodo-4-(4-methoxyphenyl)sulfonylquinoline-3-carboxylic acid Traditional Name: 2-amino-5-ethyl-8-iodo-4-(4-methoxyphenyl)sulfonyl-quinoline-3-carboxylic acid Formula: C19H17IN2O5S MolecularWeight: 512.31815

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C=C1)I)N=C(C(=C2S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)N

Isomeric SMILES

CCC1=C2C(=C(C=C1)I)N=C(C(=C2S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)O)N

InChI

InChI=1S/C19H17IN2O5S/c1-3-10-4-9-13(20)16-14(10)17(15(19(23)24)18(21)22-16)28(25,26)12-7-5-11(27-2)6-8-12/h4-9H,3H2,1-2H3,(H2,21,22)(H,23,24)