6-(azepan-1-ylsulfonyl)-2-methyl-quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-methyl-quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-methyl-quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-methyl-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-methylquinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-methyl-cinchoninic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=C1)C(=O)O

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=C1)C(=O)O

InChI

InChI=1S/C17H20N2O4S/c1-12-10-15(17(20)21)14-11-13(6-7-16(14)18-12)24(22,23)19-8-4-2-3-5-9-19/h6-7,10-11H,2-5,8-9H2,1H3,(H,20,21)