6-(azepan-1-ylsulfonyl)-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-1-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-1-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-4-keto-1-methyl-quinoline-3-carboxylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)O

InChI

InChI=1S/C17H20N2O5S/c1-18-11-14(17(21)22)16(20)13-10-12(6-7-15(13)18)25(23,24)19-8-4-2-3-5-9-19/h6-7,10-11H,2-5,8-9H2,1H3,(H,21,22)