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4-methoxy-2-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide
4-methoxy-2-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide
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Descriptors Computed from Structure
Canonical SMILES:
COC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)[N+](=O)[O-]
Isomeric SMILES
COC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H17N3O5S2/c1-27-16-6-9-19(18(11-16)22(23)24)29(25,26)21-15-4-7-17(8-5-15)28-13-14-3-2-10-20-12-14/h2-12,21H,13H2,1H3
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