methyl 4-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]benzoate CAS Name: 4-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]benzoate Traditional Name: 4-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]benzoic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20N2O5S/c1-25-18(22)15-6-4-14(5-7-15)12-19-13-16(8-9-17(19)21)26(23,24)20-10-2-3-11-20/h4-9,13H,2-3,10-12H2,1H3