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

Systemtic Name: 3-(4-ethylphenyl)-5-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-ethylphenyl)-5-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,2,4-oxadiazole CAS Name: 3-(4-ethylphenyl)-5-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-ethylphenyl)-5-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-ethylphenyl)-5-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]-1,2,4-oxadiazole Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S/c1-2-15-5-7-16(8-6-15)21-22-20(31-23-21)14-30-19-10-9-17(13-18(19)25(26)27)32(28,29)24-11-3-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3