[4-[3-(2-phenylethanoylamino)propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[3-(2-phenylethanoylamino)propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[3-[(2-phenylacetyl)amino]propanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[1-oxo-3-[(1-oxo-2-phenylethyl)amino]propyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[3-[(2-phenylacetyl)amino]propanoylamino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[3-[(2-phenylacetyl)amino]propanoylamino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C21H20N5O4S- MolecularWeight: 438.4796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4S/c27-19(11-14-22-20(28)15-16-5-2-1-3-6-16)25-17-7-9-18(10-8-17)31(29,30)26-21-23-12-4-13-24-21/h1-10,12-13H,11,14-15H2,(H3,22,23,24,25,26,27,28)/p-1