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

Systemtic Name: [4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[(2S)-2-[(4-tert-butylphenyl)thio]-1-oxopropyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[(2S)-2-(4-tert-butylphenyl)sulfanylpropanoyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[(2S)-2-[(4-tert-butylphenyl)thio]propanoyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C23H25N4O3S2- MolecularWeight: 469.5996

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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=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC=CC=N2)SC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H26N4O3S2/c1-16(31-19-10-6-17(7-11-19)23(2,3)4)21(28)26-18-8-12-20(13-9-18)32(29,30)27-22-24-14-5-15-25-22/h5-16H,1-4H3,(H2,24,25,26,27,28)/p-1/t16-/m0/s1