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

Systemtic Name: 4,5-dimethyl-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3-oxazole Openeye Name: 4,5-dimethyl-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-oxazole CAS Name: 4,5-dimethyl-2-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]thio]oxazole IUPAC Name: 4,5-dimethyl-2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3-oxazole Traditional Name: 4,5-dimethyl-2-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]thio]oxazole Formula: C16H21N4O5S2+ MolecularWeight: 413.49174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(OC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N4O5S2/c1-11-12(2)25-16(17-11)26-15-5-4-13(10-14(15)20(21)22)27(23,24)19-8-6-18(3)7-9-19/h4-5,10H,6-9H2,1-3H3/p+1