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

Systemtic Name: 3,5-dimethyl-4-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylmethyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylmethyl]isoxazole CAS Name: 3,5-dimethyl-4-[[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]thio]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]sulfanylmethyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]thio]methyl]isoxazole Formula: C17H22N4O5S2 MolecularWeight: 426.51038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O5S2/c1-12-15(13(2)26-18-12)11-27-17-5-4-14(10-16(17)21(22)23)28(24,25)20-8-6-19(3)7-9-20/h4-5,10H,6-9,11H2,1-3H3