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

Systemtic Name: 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-N-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: 4-[(4,6-dimethoxy-2-pyrimidinyl)methyl]-N-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: 4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-N-tosyl-piperazine-1-carboxamide Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)CC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)CC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C19H25N5O5S/c1-14-4-6-15(7-5-14)30(26,27)22-19(25)24-10-8-23(9-11-24)13-16-20-17(28-2)12-18(21-16)29-3/h4-7,12H,8-11,13H2,1-3H3,(H,22,25)