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

Systemtic Name: [2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)amino]-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)amino]-2-keto-ethyl] ester Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O7S/c1-21-15(11-17(25)22(2)19(21)27)20-16(24)12-30-18(26)13-6-5-7-14(10-13)31(28,29)23-8-3-4-9-23/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,20,24)