methyl 3-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]benzoate

Systemtic Name: methyl 3-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]benzoate Openeye Name: methyl 3-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]benzoate CAS Name: 3-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]benzoate Traditional Name: 3-[(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(=CC=C1)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

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