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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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