(2S)-2-[4-azanyl-5-(4-propan-2-ylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide

Systemtic Name: (2S)-2-[4-azanyl-5-(4-propan-2-ylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide Openeye Name: (2S)-2-[4-amino-5-(4-isopropylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide CAS Name: (2S)-2-[[4-amino-5-(4-propan-2-ylphenyl)sulfonyl-2-pyrimidinyl]thio]-N-(4-ethylphenyl)butanamide IUPAC Name: (2S)-2-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide Traditional Name: (2S)-2-[(4-amino-5-p-cumenylsulfonyl-pyrimidin-2-yl)thio]-N-(4-ethylphenyl)butyramide Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC=C(C(=N2)N)S(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](CC)SC2=NC=C(C(=N2)N)S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H30N4O3S2/c1-5-17-7-11-19(12-8-17)28-24(30)21(6-2)33-25-27-15-22(23(26)29-25)34(31,32)20-13-9-18(10-14-20)16(3)4/h7-16,21H,5-6H2,1-4H3,(H,28,30)(H2,26,27,29)/t21-/m0/s1