4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: 4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: 4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]-N-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: 4-[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]-N-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: 4-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: 4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]-N-tosyl-piperazine-1-carboxamide Formula: C25H29N5O5S MolecularWeight: 511.59326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=NC(=CC(=N4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=NC(=CC(=N4)OC)OC

InChI

InChI=1S/C25H29N5O5S/c1-18-9-11-20(12-10-18)36(32,33)28-25(31)30-15-13-29(14-16-30)23(19-7-5-4-6-8-19)24-26-21(34-2)17-22(27-24)35-3/h4-12,17,23H,13-16H2,1-3H3,(H,28,31)