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

Systemtic Name: 3,5-dimethyl-4-[[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]methyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]methyl]isoxazole CAS Name: 3,5-dimethyl-4-[[4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]methyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[4-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]piperazino]methyl]isoxazole Formula: C21H30N6O5S MolecularWeight: 478.5651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H30N6O5S/c1-16-19(17(2)32-22-16)15-24-8-10-25(11-9-24)20-5-4-18(14-21(20)27(28)29)33(30,31)26-12-6-23(3)7-13-26/h4-5,14H,6-13,15H2,1-3H3