2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-5-pyrrolidinosulfonyl-pyridine Formula: C17H19BrN2O3S2 MolecularWeight: 443.37836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H19BrN2O3S2/c1-23-16-6-4-14(18)10-13(16)12-24-17-7-5-15(11-19-17)25(21,22)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9,12H2,1H3