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

Systemtic Name: 4,5-dimethyl-2-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3-oxazole Openeye Name: 4,5-dimethyl-2-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanyl-oxazole CAS Name: 4,5-dimethyl-2-[[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]oxazole IUPAC Name: 4,5-dimethyl-2-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3-oxazole Traditional Name: 4,5-dimethyl-2-[[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]oxazole Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC(=C(O3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC(=C(O3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S2/c1-11-6-8-19(9-7-11)27(23,24)14-4-5-16(15(10-14)20(21)22)26-17-18-12(2)13(3)25-17/h4-5,10-11H,6-9H2,1-3H3