2-[(4-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[(4-nitrophenyl)methylthio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[(4-nitrobenzyl)thio]-5-pyrrolidinosulfonyl-pyridine Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4S2/c20-19(21)14-5-3-13(4-6-14)12-24-16-8-7-15(11-17-16)25(22,23)18-9-1-2-10-18/h3-8,11H,1-2,9-10,12H2