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

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanylmethyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]methyl]-3,5-dimethyl-isoxazole Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S2/c1-13-16(14(2)26-19-13)12-27-18-8-7-15(11-17(18)21(22)23)28(24,25)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3