N-(4,6-dimethylpyrimidin-2-yl)-N'-(4-methylphenyl)sulfonyl-4-(phenylmethyl)piperidine-1-carboximidamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-N'-(4-methylphenyl)sulfonyl-4-(phenylmethyl)piperidine-1-carboximidamide Openeye Name: 4-benzyl-N-(4,6-dimethylpyrimidin-2-yl)-N'-(p-tolylsulfonyl)piperidine-1-carboxamidine CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-N'-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-1-piperidinecarboximidamide IUPAC Name: 4-benzyl-N-(4,6-dimethylpyrimidin-2-yl)-N'-(4-methylphenyl)sulfonylpiperidine-1-carboximidamide Traditional Name: 4-benzyl-N-(4,6-dimethylpyrimidin-2-yl)-N'-tosyl-piperidine-1-carboxamidine Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=NC(=CC(=N2)C)C)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/NC2=NC(=CC(=N2)C)C)\N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2S/c1-19-9-11-24(12-10-19)34(32,33)30-26(29-25-27-20(2)17-21(3)28-25)31-15-13-23(14-16-31)18-22-7-5-4-6-8-22/h4-12,17,23H,13-16,18H2,1-3H3,(H,27,28,29,30)