N-(2-phenylpyrimidin-5-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-phenylpyrimidin-5-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-phenylpyrimidin-5-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-phenyl-5-pyrimidinyl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-phenylpyrimidin-5-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-(2-phenylpyrimidin-5-yl)isonipecotamide Formula: C25H28N4O3S MolecularWeight: 464.57982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CN=C(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CN=C(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O3S/c1-17-13-18(2)23(19(3)14-17)33(31,32)29-11-9-21(10-12-29)25(30)28-22-15-26-24(27-16-22)20-7-5-4-6-8-20/h4-8,13-16,21H,9-12H2,1-3H3,(H,28,30)