3-methyl-5-[4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-phenyl]-1,2-oxazole

Systemtic Name: 3-methyl-5-[4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-phenyl]-1,2-oxazole Openeye Name: 3-methyl-5-[4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-phenyl]isoxazole CAS Name: 3-methyl-5-[4-methyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]phenyl]isoxazole IUPAC Name: 3-methyl-5-[4-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]-1,2-oxazole Traditional Name: 3-methyl-5-[4-methyl-3-[4-(4-nitrophenyl)piperazino]sulfonyl-phenyl]isoxazole Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-15-3-4-17(20-13-16(2)22-30-20)14-21(15)31(28,29)24-11-9-23(10-12-24)18-5-7-19(8-6-18)25(26)27/h3-8,13-14H,9-12H2,1-2H3