methyl 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: methyl 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: methyl 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxo-quinoline-3-carboxylate CAS Name: 6-(1-azepanylsulfonyl)-1-ethyl-4-oxo-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-(azepan-1-ylsulfonyl)-1-ethyl-4-oxoquinoline-3-carboxylate Traditional Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-4-keto-quinoline-3-carboxylic acid methyl ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O5S/c1-3-20-13-16(19(23)26-2)18(22)15-12-14(8-9-17(15)20)27(24,25)21-10-6-4-5-7-11-21/h8-9,12-13H,3-7,10-11H2,1-2H3