[4-[[4-(butanoylamino)phenyl]carbonylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[[4-(butanoylamino)phenyl]carbonylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[4-(butanoylamino)benzoyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[oxo-[4-(1-oxobutylamino)phenyl]methyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[4-(butanoylamino)benzoyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[(4-butyramidobenzoyl)amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C21H20N5O4S- MolecularWeight: 438.4796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

InChI

InChI=1S/C21H21N5O4S/c1-2-4-19(27)24-16-7-5-15(6-8-16)20(28)25-17-9-11-18(12-10-17)31(29,30)26-21-22-13-3-14-23-21/h3,5-14H,2,4H2,1H3,(H3,22,23,24,25,26,27,28)/p-1