3-tert-butyl-5-[1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]ethyl]-1,2,4-oxadiazole Formula: C19H27N5O6S MolecularWeight: 453.51258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C(C)(C)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC(=NO1)C(C)(C)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O6S/c1-13(17-20-18(21-30-17)19(2,3)4)22-8-10-23(11-9-22)31(27,28)14-6-7-16(29-5)15(12-14)24(25)26/h6-7,12-13H,8-11H2,1-5H3