[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21N3O6S/c1-19-14(11-16(22)20(2)18(19)24)12-27-17(23)13-5-7-15(8-6-13)28(25,26)21-9-3-4-10-21/h5-8,11H,3-4,9-10,12H2,1-2H3