[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H20N2O7S/c24-18(15-5-8-19-17(11-15)22-20(25)13-29-19)12-30-21(26)14-3-6-16(7-4-14)31(27,28)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H,22,25)