3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]-N-(4-piperidinosulfonylphenyl)propionamide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S2/c1-19-26-23(20-8-4-2-5-9-20)18-25(27-19)33-17-14-24(30)28-21-10-12-22(13-11-21)34(31,32)29-15-6-3-7-16-29/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H,28,30)