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

Systemtic Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[(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)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3S2/c1-18(33-24-17-23(26-19(2)27-24)20-9-5-3-6-10-20)25(30)28-21-11-13-22(14-12-21)34(31,32)29-15-7-4-8-16-29/h3,5-6,9-14,17-18H,4,7-8,15-16H2,1-2H3,(H,28,30)