methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]benzoic acid methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20N2O4S2/c1-24-18(21)15-6-4-14(5-7-15)13-25-17-9-8-16(12-19-17)26(22,23)20-10-2-3-11-20/h4-9,12H,2-3,10-11,13H2,1H3