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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-1-ethyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)O

InChI

InChI=1S/C18H22N2O5S/c1-2-19-12-15(18(22)23)17(21)14-11-13(7-8-16(14)19)26(24,25)20-9-5-3-4-6-10-20/h7-8,11-12H,2-6,9-10H2,1H3,(H,22,23)