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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=C(C=C2)C)Cl)/C(=N/C3=NC(=CC(=N3)C)C)/N

InChI

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