[4-[(2,4-dimethylquinolin-8-yl)oxymethyl]-3-(phenylsulfonyl)-1-pyrrolidin-1-yl-azetidin-2-ylidene]methanone

Systemtic Name: [4-[(2,4-dimethylquinolin-8-yl)oxymethyl]-3-(phenylsulfonyl)-1-pyrrolidin-1-yl-azetidin-2-ylidene]methanone Openeye Name: [3-(benzenesulfonyl)-4-[(2,4-dimethyl-8-quinolyl)oxymethyl]-1-pyrrolidin-1-yl-azetidin-2-ylidene]methanone CAS Name: [3-(benzenesulfonyl)-4-[(2,4-dimethyl-8-quinolinyl)oxymethyl]-1-(1-pyrrolidinyl)-2-azetidinylidene]methanone IUPAC Name: [3-(benzenesulfonyl)-4-[(2,4-dimethylquinolin-8-yl)oxymethyl]-1-pyrrolidin-1-ylazetidin-2-ylidene]methanone Traditional Name: [3-besyl-4-[(2,4-dimethyl-8-quinolyl)oxymethyl]-1-pyrrolidino-azetidin-2-ylidene]methanone Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OCC3C(C(=C=O)N3N4CCCC4)S(=O)(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3C(C(=C=O)N3N4CCCC4)S(=O)(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C26H27N3O4S/c1-18-15-19(2)27-25-21(18)11-8-12-24(25)33-17-23-26(34(31,32)20-9-4-3-5-10-20)22(16-30)29(23)28-13-6-7-14-28/h3-5,8-12,15,23,26H,6-7,13-14,17H2,1-2H3