5-(2-chloranyl-4-nitro-phenyl)-3-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-oxadiazol-2-one

Systemtic Name: 5-(2-chloranyl-4-nitro-phenyl)-3-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-oxadiazol-2-one Openeye Name: 5-(2-chloro-4-nitro-phenyl)-3-[2-(p-tolylsulfonyl)ethyl]-1,3,4-oxadiazol-2-one CAS Name: 5-(2-chloro-4-nitrophenyl)-3-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-oxadiazol-2-one IUPAC Name: 5-(2-chloro-4-nitrophenyl)-3-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-oxadiazol-2-one Traditional Name: 5-(2-chloro-4-nitro-phenyl)-3-(2-tosylethyl)-1,3,4-oxadiazol-2-one Formula: C17H14ClN3O6S MolecularWeight: 423.82756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN2C(=O)OC(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2C(=O)OC(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O6S/c1-11-2-5-13(6-3-11)28(25,26)9-8-20-17(22)27-16(19-20)14-7-4-12(21(23)24)10-15(14)18/h2-7,10H,8-9H2,1H3