[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C20H17N4O5S- MolecularWeight: 425.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

InChI

InChI=1S/C20H18N4O5S/c25-19(9-3-14-2-8-17-18(12-14)29-13-28-17)23-15-4-6-16(7-5-15)30(26,27)24-20-21-10-1-11-22-20/h1-2,4-8,10-12H,3,9,13H2,(H2,21,22,23,24,25)/p-1