(4-bromanyl-5-cyclopropyl-1,2-oxazol-3-yl)-[2-(phenylsulfonylmethyl)phenyl]methanone

Systemtic Name: (4-bromanyl-5-cyclopropyl-1,2-oxazol-3-yl)-[2-(phenylsulfonylmethyl)phenyl]methanone Openeye Name: [2-(benzenesulfonylmethyl)phenyl]-(4-bromo-5-cyclopropyl-isoxazol-3-yl)methanone CAS Name: [2-(benzenesulfonylmethyl)phenyl]-(4-bromo-5-cyclopropyl-3-isoxazolyl)methanone IUPAC Name: [2-(benzenesulfonylmethyl)phenyl]-(4-bromo-5-cyclopropyl-1,2-oxazol-3-yl)methanone Traditional Name: [2-(besylmethyl)phenyl]-(4-bromo-5-cyclopropyl-isoxazol-3-yl)methanone Formula: C20H16BrNO4S MolecularWeight: 446.31434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=NO2)C(=O)C3=CC=CC=C3CS(=O)(=O)C4=CC=CC=C4)Br

Isomeric SMILES

C1CC1C2=C(C(=NO2)C(=O)C3=CC=CC=C3CS(=O)(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C20H16BrNO4S/c21-17-18(22-26-20(17)13-10-11-13)19(23)16-9-5-4-6-14(16)12-27(24,25)15-7-2-1-3-8-15/h1-9,13H,10-12H2