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

Systemtic Name: 5-[4-methoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-phenyl]-3-methyl-1,2-oxazole Openeye Name: 5-[4-methoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-phenyl]-3-methyl-isoxazole CAS Name: 5-[4-methoxy-3-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]phenyl]-3-methylisoxazole IUPAC Name: 5-[4-methoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[4-methoxy-3-[4-(4-nitrophenyl)piperazino]sulfonyl-phenyl]-3-methyl-isoxazole Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O6S/c1-15-13-20(31-22-15)16-3-8-19(30-2)21(14-16)32(28,29)24-11-9-23(10-12-24)17-4-6-18(7-5-17)25(26)27/h3-8,13-14H,9-12H2,1-2H3