2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-1-oxido-pyridin-1-ium CAS Name: 2-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-1-oxidopyridin-1-ium IUPAC Name: 2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-1-oxidopyridin-1-ium Traditional Name: 2-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-1-oxido-pyridin-1-ium Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=[N+]3[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=CC=[N+]3[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S2/c20-18-11-5-2-6-16(18)25-15-8-7-13(12-14(15)19(21)22)26(23,24)17-9-3-1-4-10-17/h2,5-8,11-12H,1,3-4,9-10H2