1-[4-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-[2-(4-methoxyphenoxy)ethylthio]-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-[2-(4-methoxyphenoxy)ethylthio]-3-nitro-phenyl]sulfonylazepane Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCSC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCCSC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O6S2/c1-28-17-6-8-18(9-7-17)29-14-15-30-21-11-10-19(16-20(21)23(24)25)31(26,27)22-12-4-2-3-5-13-22/h6-11,16H,2-5,12-15H2,1H3