4-[4-[(2-methylphenyl)methylsulfanyl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[(2-methylphenyl)methylsulfanyl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[3-nitro-4-(o-tolylmethylsulfanyl)phenyl]sulfonylmorpholine CAS Name: 4-[4-[(2-methylphenyl)methylthio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[(2-methylphenyl)methylsulfanyl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[(2-methylbenzyl)thio]-3-nitro-phenyl]sulfonylmorpholine Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S2/c1-14-4-2-3-5-15(14)13-26-18-7-6-16(12-17(18)20(21)22)27(23,24)19-8-10-25-11-9-19/h2-7,12H,8-11,13H2,1H3