(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (1-methyl-2-oxidanylidene-pyridin-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (1-methyl-2-oxo-4-pyridyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (1-methyl-2-oxo-4-pyridinyl)methyl ester IUPAC Name: (1-methyl-2-oxopyridin-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-keto-1-methyl-4-pyridyl)methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=CC(=CC1=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

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