2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-4,5-dimethyl-1,3-oxazole

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-4,5-dimethyl-1,3-oxazole Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-4,5-dimethyl-oxazole CAS Name: 2-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]-4,5-dimethyloxazole IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanyl-4,5-dimethyl-1,3-oxazole Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]-4,5-dimethyl-oxazole Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(OC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N3O5S2/c1-12-13(2)25-17(18-12)26-16-8-7-14(11-15(16)20(21)22)27(23,24)19-9-5-3-4-6-10-19/h7-8,11H,3-6,9-10H2,1-2H3