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

Systemtic Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-[4-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: 2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]-N-(4-piperidinosulfonylphenyl)butyramide Formula: C26H30N4O3S2 MolecularWeight: 510.6714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H30N4O3S2/c1-3-24(34-25-18-23(27-19(2)28-25)20-10-6-4-7-11-20)26(31)29-21-12-14-22(15-13-21)35(32,33)30-16-8-5-9-17-30/h4,6-7,10-15,18,24H,3,5,8-9,16-17H2,1-2H3,(H,29,31)