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

Systemtic Name: 3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylmethyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanylmethyl]isoxazole CAS Name: 3,5-dimethyl-4-[[[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanylmethyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]methyl]isoxazole Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SCC3=C(ON=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SCC3=C(ON=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S2/c1-12-5-4-8-20(10-12)28(24,25)15-6-7-18(17(9-15)21(22)23)27-11-16-13(2)19-26-14(16)3/h6-7,9,12H,4-5,8,10-11H2,1-3H3