[4-[[(2S)-2-(3,4-dimethylphenyl)sulfanylpropanoyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[[(2S)-2-(3,4-dimethylphenyl)sulfanylpropanoyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[(2S)-2-(3,4-dimethylphenyl)sulfanylpropanoyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[(2S)-2-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[(2S)-2-(3,4-dimethylphenyl)sulfanylpropanoyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[(2S)-2-[(3,4-dimethylphenyl)thio]propanoyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C21H21N4O3S2- MolecularWeight: 441.54644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S2/c1-14-5-8-18(13-15(14)2)29-16(3)20(26)24-17-6-9-19(10-7-17)30(27,28)25-21-22-11-4-12-23-21/h4-13,16H,1-3H3,(H2,22,23,24,25,26)/p-1/t16-/m0/s1