3-bromanyl-4-methyl-N-[(2-propylsulfanylphenyl)methyl]-N-(pyrimidin-5-ylmethyl)benzenesulfonamide

Systemtic Name: 3-bromanyl-4-methyl-N-[(2-propylsulfanylphenyl)methyl]-N-(pyrimidin-5-ylmethyl)benzenesulfonamide Openeye Name: 3-bromo-4-methyl-N-[(2-propylsulfanylphenyl)methyl]-N-(pyrimidin-5-ylmethyl)benzenesulfonamide CAS Name: 3-bromo-4-methyl-N-[[2-(propylthio)phenyl]methyl]-N-(5-pyrimidinylmethyl)benzenesulfonamide IUPAC Name: 3-bromo-4-methyl-N-[(2-propylsulfanylphenyl)methyl]-N-(pyrimidin-5-ylmethyl)benzenesulfonamide Traditional Name: 3-bromo-4-methyl-N-[2-(propylthio)benzyl]-N-(5-pyrimidylmethyl)benzenesulfonamide Formula: C22H24BrN3O2S2 MolecularWeight: 506.47886

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1CN(CC2=CN=CN=C2)S(=O)(=O)C3=CC(=C(C=C3)C)Br

Isomeric SMILES

CCCSC1=CC=CC=C1CN(CC2=CN=CN=C2)S(=O)(=O)C3=CC(=C(C=C3)C)Br

InChI

InChI=1S/C22H24BrN3O2S2/c1-3-10-29-22-7-5-4-6-19(22)15-26(14-18-12-24-16-25-13-18)30(27,28)20-9-8-17(2)21(23)11-20/h4-9,11-13,16H,3,10,14-15H2,1-2H3