(4-bromophenyl)-[5-(4-nitrophenyl)-4-(phenylsulfonyl)-1,2-oxazol-3-yl]methanone

Systemtic Name: (4-bromophenyl)-[5-(4-nitrophenyl)-4-(phenylsulfonyl)-1,2-oxazol-3-yl]methanone Openeye Name: [4-(benzenesulfonyl)-5-(4-nitrophenyl)isoxazol-3-yl]-(4-bromophenyl)methanone CAS Name: [4-(benzenesulfonyl)-5-(4-nitrophenyl)-3-isoxazolyl]-(4-bromophenyl)methanone IUPAC Name: [4-(benzenesulfonyl)-5-(4-nitrophenyl)-1,2-oxazol-3-yl]-(4-bromophenyl)methanone Traditional Name: [4-besyl-5-(4-nitrophenyl)isoxazol-3-yl]-(4-bromophenyl)methanone Formula: C22H13BrN2O6S MolecularWeight: 513.31742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=C(ON=C2C(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=C(ON=C2C(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H13BrN2O6S/c23-16-10-6-14(7-11-16)20(26)19-22(32(29,30)18-4-2-1-3-5-18)21(31-24-19)15-8-12-17(13-9-15)25(27)28/h1-13H