3-(azepan-1-ylcarbonyl)-6-(azepan-1-ylsulfonyl)-1-ethyl-quinolin-4-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-6-(azepan-1-ylsulfonyl)-1-ethyl-quinolin-4-one Openeye Name: 3-(azepane-1-carbonyl)-6-(azepan-1-ylsulfonyl)-1-ethyl-quinolin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-6-(1-azepanylsulfonyl)-1-ethyl-4-quinolinone IUPAC Name: 3-(azepane-1-carbonyl)-6-(azepan-1-ylsulfonyl)-1-ethylquinolin-4-one Traditional Name: 3-(azepane-1-carbonyl)-6-(azepan-1-ylsulfonyl)-1-ethyl-4-quinolone Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)N4CCCCCC4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H33N3O4S/c1-2-25-18-21(24(29)26-13-7-3-4-8-14-26)23(28)20-17-19(11-12-22(20)25)32(30,31)27-15-9-5-6-10-16-27/h11-12,17-18H,2-10,13-16H2,1H3