N-[4-(phenethylsulfamoyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-[4-(phenethylsulfamoyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-[4-(phenethylsulfamoyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-[4-(phenethylsulfamoyl)phenyl]-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-[4-(phenethylsulfamoyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-[4-(phenethylsulfamoyl)phenyl]-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C28H28N4O3S2 MolecularWeight: 532.67692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O3S2/c1-2-26(36-27-19-25(29-20-30-27)22-11-7-4-8-12-22)28(33)32-23-13-15-24(16-14-23)37(34,35)31-18-17-21-9-5-3-6-10-21/h3-16,19-20,26,31H,2,17-18H2,1H3,(H,32,33)