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

Systemtic Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O3S2/c1-3-23(33-24-17-22(26-18(2)27-24)19-9-5-4-6-10-19)25(30)28-20-11-13-21(14-12-20)34(31,32)29-15-7-8-16-29/h4-6,9-14,17,23H,3,7-8,15-16H2,1-2H3,(H,28,30)