[4-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[(2S)-2-(p-tolylsulfanyl)propanoyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[(2S)-2-[(4-methylphenyl)thio]-1-oxopropyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[(2S)-2-(p-tolylthio)propanoyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C20H19N4O3S2- MolecularWeight: 427.51986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

InChI

InChI=1S/C20H20N4O3S2/c1-14-4-8-17(9-5-14)28-15(2)19(25)23-16-6-10-18(11-7-16)29(26,27)24-20-21-12-3-13-22-20/h3-13,15H,1-2H3,(H2,21,22,23,24,25)/p-1/t15-/m0/s1