6-(azepan-1-ylsulfonyl)-N-(3-morpholin-4-ylpropyl)-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-(3-morpholin-4-ylpropyl)-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-(3-morpholinopropyl)-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[3-(4-morpholinyl)propyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-2-keto-N-(3-morpholinopropyl)-1H-quinoline-4-carboxamide Formula: C23H32N4O5S MolecularWeight: 476.58898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCCN4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C23H32N4O5S/c28-22-17-20(23(29)24-8-5-9-26-12-14-32-15-13-26)19-16-18(6-7-21(19)25-22)33(30,31)27-10-3-1-2-4-11-27/h6-7,16-17H,1-5,8-15H2,(H,24,29)(H,25,28)