[4-[[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[(2S)-2-(1H-benzimidazol-2-ylthio)-1-oxopropyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)propanoyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[(2S)-2-(1H-benzimidazol-2-ylthio)propanoyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C20H17N6O3S2- MolecularWeight: 453.51738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC=CC=N2)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC=CC=N2)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H18N6O3S2/c1-13(30-20-24-16-5-2-3-6-17(16)25-20)18(27)23-14-7-9-15(10-8-14)31(28,29)26-19-21-11-4-12-22-19/h2-13H,1H3,(H3,21,22,23,24,25,26,27)/p-1/t13-/m0/s1