4-[4-(2,5-dimethylphenyl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-(2,5-dimethylphenyl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-(2,5-dimethylphenyl)sulfanyl-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[(2,5-dimethylphenyl)thio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-(2,5-dimethylphenyl)sulfanyl-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(2,5-dimethylphenyl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S2/c1-13-3-4-14(2)18(11-13)26-17-6-5-15(12-16(17)20(21)22)27(23,24)19-7-9-25-10-8-19/h3-6,11-12H,7-10H2,1-2H3