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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-1-ethyl-6-pyrrolidin-1-ylsulfonyl-quinolin-4-one Openeye Name: 3-(azepane-1-carbonyl)-1-ethyl-6-pyrrolidin-1-ylsulfonyl-quinolin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-1-ethyl-6-(1-pyrrolidinylsulfonyl)-4-quinolinone IUPAC Name: 3-(azepane-1-carbonyl)-1-ethyl-6-pyrrolidin-1-ylsulfonylquinolin-4-one Traditional Name: 3-(azepane-1-carbonyl)-1-ethyl-6-pyrrolidinosulfonyl-4-quinolone Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)N4CCCCCC4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H29N3O4S/c1-2-23-16-19(22(27)24-11-5-3-4-6-12-24)21(26)18-15-17(9-10-20(18)23)30(28,29)25-13-7-8-14-25/h9-10,15-16H,2-8,11-14H2,1H3