4-methyl-N-(1-phenyl-3-pyrimidin-2-ylsulfanyl-propyl)benzenesulfonamide

Systemtic Name: 4-methyl-N-(1-phenyl-3-pyrimidin-2-ylsulfanyl-propyl)benzenesulfonamide Openeye Name: 4-methyl-N-(1-phenyl-3-pyrimidin-2-ylsulfanyl-propyl)benzenesulfonamide CAS Name: 4-methyl-N-[1-phenyl-3-(2-pyrimidinylthio)propyl]benzenesulfonamide IUPAC Name: 4-methyl-N-(1-phenyl-3-pyrimidin-2-ylsulfanylpropyl)benzenesulfonamide Traditional Name: 4-methyl-N-[1-phenyl-3-(2-pyrimidylthio)propyl]benzenesulfonamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC2=NC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC2=NC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S2/c1-16-8-10-18(11-9-16)27(24,25)23-19(17-6-3-2-4-7-17)12-15-26-20-21-13-5-14-22-20/h2-11,13-14,19,23H,12,15H2,1H3