1-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonyl-3-(4-phenoxyphenyl)guanidine

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonyl-3-(4-phenoxyphenyl)guanidine Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenoxyphenyl)-2-(p-tolylsulfonyl)guanidine CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-2-(4-methylphenyl)sulfonyl-3-(4-phenoxyphenyl)guanidine IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonyl-3-(4-phenoxyphenyl)guanidine Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenoxyphenyl)-2-tosyl-guanidine Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)OC3=CC=CC=C3)NC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/NC2=CC=C(C=C2)OC3=CC=CC=C3)\NC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C26H25N5O3S/c1-18-9-15-24(16-10-18)35(32,33)31-26(30-25-27-19(2)17-20(3)28-25)29-21-11-13-23(14-12-21)34-22-7-5-4-6-8-22/h4-17H,1-3H3,(H2,27,28,29,30,31)