3-(azepan-1-ylcarbonyl)-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-quinolin-4-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-quinolin-4-one Openeye Name: 3-(azepane-1-carbonyl)-6-[(3,5-dimethyl-1-piperidyl)sulfonyl]-1-ethyl-quinolin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-6-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-1-ethyl-4-quinolinone IUPAC Name: 3-(azepane-1-carbonyl)-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethylquinolin-4-one Traditional Name: 3-(azepane-1-carbonyl)-6-(3,5-dimethylpiperidino)sulfonyl-1-ethyl-4-quinolone Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CC(CC(C3)C)C)C(=O)N4CCCCCC4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CC(CC(C3)C)C)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H35N3O4S/c1-4-26-17-22(25(30)27-11-7-5-6-8-12-27)24(29)21-14-20(9-10-23(21)26)33(31,32)28-15-18(2)13-19(3)16-28/h9-10,14,17-19H,4-8,11-13,15-16H2,1-3H3