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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC(=C(O3)C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC(=C(O3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S2/c1-11-5-4-8-19(10-11)27(23,24)14-6-7-16(15(9-14)20(21)22)26-17-18-12(2)13(3)25-17/h6-7,9,11H,4-5,8,10H2,1-3H3/t11-/m0/s1