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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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