1-[4-chloranyl-2-(4-methylphenyl)sulfonyl-phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine

Systemtic Name: 1-[4-chloranyl-2-(4-methylphenyl)sulfonyl-phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine Openeye Name: 1-[4-chloro-2-(p-tolylsulfonyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine CAS Name: 1-[4-chloro-2-(4-methylphenyl)sulfonylphenyl]-2-(4,6-dimethyl-2-pyrimidinyl)guanidine IUPAC Name: 1-[4-chloro-2-(4-methylphenyl)sulfonylphenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine Traditional Name: 1-(4-chloro-2-tosyl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O2S/c1-12-4-7-16(8-5-12)29(27,28)18-11-15(21)6-9-17(18)25-19(22)26-20-23-13(2)10-14(3)24-20/h4-11H,1-3H3,(H3,22,23,24,25,26)