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1-[6-[(4-nitrophenyl)methylsulfanyl]pyridin-3-yl]sulfonylazepane

1-[6-[(4-nitrophenyl)methylsulfanyl]pyridin-3-yl]sulfonylazepane

Systemtic Name:1-[6-[(4-nitrophenyl)methylsulfanyl]pyridin-3-yl]sulfonylazepane
Openeye Name:1-[[6-[(4-nitrophenyl)methylsulfanyl]-3-pyridyl]sulfonyl]azepane
CAS Name:1-[[6-[(4-nitrophenyl)methylthio]-3-pyridinyl]sulfonyl]azepane
IUPAC Name:1-[6-[(4-nitrophenyl)methylsulfanyl]pyridin-3-yl]sulfonylazepane
Traditional Name:1-[[6-[(4-nitrobenzyl)thio]-3-pyridyl]sulfonyl]azepane
Formula: C18H21N3O4S2
MolecularWeight: 407.50704
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C18H21N3O4S2/c22-21(23)16-7-5-15(6-8-16)14-26-18-10-9-17(13-19-18)27(24,25)20-11-3-1-2-4-12-20/h5-10,13H,1-4,11-12,14H2


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