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

Systemtic Name: 1-[4-[2-(2-chloranylphenoxy)ethylsulfanyl]-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-[2-(2-chlorophenoxy)ethylsulfanyl]-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-[2-(2-chlorophenoxy)ethylthio]-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-[2-(2-chlorophenoxy)ethylsulfanyl]-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-[2-(2-chlorophenoxy)ethylthio]-3-nitro-phenyl]sulfonylazepane Formula: C20H23ClN2O5S2 MolecularWeight: 470.99002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCOC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCOC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN2O5S2/c21-17-7-3-4-8-19(17)28-13-14-29-20-10-9-16(15-18(20)23(24)25)30(26,27)22-11-5-1-2-6-12-22/h3-4,7-10,15H,1-2,5-6,11-14H2