[4-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C22H18N5O6S- MolecularWeight: 480.47322

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)[N-]C5=NC=CC=N5

Isomeric SMILES

C1[C@@H](CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)[N-]C5=NC=CC=N5

InChI

InChI=1S/C22H19N5O6S/c28-20-10-14(12-27(20)16-4-7-18-19(11-16)33-13-32-18)21(29)25-15-2-5-17(6-3-15)34(30,31)26-22-23-8-1-9-24-22/h1-9,11,14H,10,12-13H2,(H2,23,24,25,26,29)/p-1/t14-/m0/s1