1-(3-chloranyl-4-methyl-phenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonyl-guanidine

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(p-tolylsulfonyl)guanidine CAS Name: 1-(3-chloro-4-methylphenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-2-(4-methylphenyl)sulfonylguanidine IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-(4-methylphenyl)sulfonylguanidine Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-(4,6-dimethylpyrimidin-2-yl)-2-tosyl-guanidine Formula: C21H22ClN5O2S MolecularWeight: 443.94968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC(=C(C=C2)C)Cl)NC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(/NC2=CC(=C(C=C2)C)Cl)\NC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H22ClN5O2S/c1-13-5-9-18(10-6-13)30(28,29)27-21(25-17-8-7-14(2)19(22)12-17)26-20-23-15(3)11-16(4)24-20/h5-12H,1-4H3,(H2,23,24,25,26,27)