2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-N-[4-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: 2-[(6-methyl-4-pyrimidinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[(6-methylpyrimidin-4-yl)thio]-N-(4-piperidinosulfonylphenyl)butyramide Formula: C20H26N4O3S2 MolecularWeight: 434.57544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S2/c1-3-18(28-19-13-15(2)21-14-22-19)20(25)23-16-7-9-17(10-8-16)29(26,27)24-11-5-4-6-12-24/h7-10,13-14,18H,3-6,11-12H2,1-2H3,(H,23,25)