5-(4-methylphenyl)-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,2,4-oxadiazole

Systemtic Name: 5-(4-methylphenyl)-3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,2,4-oxadiazole Openeye Name: 3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-5-(p-tolyl)-1,2,4-oxadiazole CAS Name: 5-(4-methylphenyl)-3-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-1,2,4-oxadiazole IUPAC Name: 5-(4-methylphenyl)-3-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1,2,4-oxadiazole Traditional Name: 3-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]-5-(p-tolyl)-1,2,4-oxadiazole Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S/c1-14-4-6-15(7-5-14)20-21-19(22-30-20)13-29-18-9-8-16(12-17(18)24(25)26)31(27,28)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3