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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-(2-morpholinoethyl)-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[2-(4-morpholinyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-2-keto-N-(2-morpholinoethyl)-1H-quinoline-4-carboxamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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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)NCCN4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCN4CCOCC4

InChI

InChI=1S/C22H30N4O5S/c27-21-16-19(22(28)23-7-10-25-11-13-31-14-12-25)18-15-17(5-6-20(18)24-21)32(29,30)26-8-3-1-2-4-9-26/h5-6,15-16H,1-4,7-14H2,(H,23,28)(H,24,27)