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

Systemtic Name: (2S)-2-[4-azanyl-5-(phenylsulfonyl)pyrimidin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide Openeye Name: (2S)-2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide CAS Name: (2S)-2-[[4-amino-5-(benzenesulfonyl)-2-pyrimidinyl]thio]-N-(4-ethylphenyl)butanamide IUPAC Name: (2S)-2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(4-ethylphenyl)butanamide Traditional Name: (2S)-2-[(4-amino-5-besyl-pyrimidin-2-yl)thio]-N-(4-ethylphenyl)butyramide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S2/c1-3-15-10-12-16(13-11-15)25-21(27)18(4-2)30-22-24-14-19(20(23)26-22)31(28,29)17-8-6-5-7-9-17/h5-14,18H,3-4H2,1-2H3,(H,25,27)(H2,23,24,26)/t18-/m0/s1