4,5-dimethyl-2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3-oxazole

Systemtic Name: 4,5-dimethyl-2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3-oxazole Openeye Name: 4,5-dimethyl-2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-oxazole CAS Name: 4,5-dimethyl-2-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]oxazole IUPAC Name: 4,5-dimethyl-2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-1,3-oxazole Traditional Name: 4,5-dimethyl-2-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]oxazole Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(OC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C16H19N3O5S2/c1-11-12(2)24-16(17-11)25-15-7-6-13(10-14(15)19(20)21)26(22,23)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9H2,1-2H3