N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-1-tosyl-isonipecotamide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)SC4=NC(=CC(=N4)C)C

InChI

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