N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C24H26N4O3S2 MolecularWeight: 482.61824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C(CCSC)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C(CCSC)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H26N4O3S2/c1-18-25-14-11-22(26-18)20-9-6-10-21(17-20)27-24(29)23(12-15-32-2)28-33(30,31)16-13-19-7-4-3-5-8-19/h3-11,13-14,16-17,23,28H,12,15H2,1-2H3,(H,27,29)/b16-13+