2-(2,4-dimethylphenyl)-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(2,4-dimethylphenyl)-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(2,4-dimethylphenyl)-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]oxazole CAS Name: 2-(2,4-dimethylphenyl)-4-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]oxazole IUPAC Name: 2-(2,4-dimethylphenyl)-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(2,4-dimethylphenyl)-4-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]oxazole Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=CO2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=CO2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N4O5S/c1-16-6-7-21(17(2)12-16)22-23-18(15-31-22)14-24-8-10-25(11-9-24)32(29,30)20-5-3-4-19(13-20)26(27)28/h3-7,12-13,15H,8-11,14H2,1-2H3