2-[2,5-bis(bromanyl)-3-methylsulfonyl-phenyl]-1-(3-ethylphenyl)-1-methyl-guanidine chloride

Systemtic Name: 2-[2,5-bis(bromanyl)-3-methylsulfonyl-phenyl]-1-(3-ethylphenyl)-1-methyl-guanidine chloride Openeye Name: 2-(2,5-dibromo-3-methylsulfonyl-phenyl)-1-(3-ethylphenyl)-1-methyl-guanidine chloride CAS Name: 2-(2,5-dibromo-3-methylsulfonylphenyl)-1-(3-ethylphenyl)-1-methylguanidine chloride IUPAC Name: 2-(2,5-dibromo-3-methylsulfonylphenyl)-1-(3-ethylphenyl)-1-methylguanidine chloride Traditional Name: 2-(2,5-dibromo-3-mesyl-phenyl)-1-(3-ethylphenyl)-1-methyl-guanidine chloride Formula: C17H19Br2ClN3O2S- MolecularWeight: 524.67766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N(C)C(=NC2=CC(=CC(=C2Br)S(=O)(=O)C)Br)N.[Cl-]

Isomeric SMILES

CCC1=CC(=CC=C1)N(C)C(=NC2=CC(=CC(=C2Br)S(=O)(=O)C)Br)N.[Cl-]

InChI

InChI=1S/C17H19Br2N3O2S.ClH/c1-4-11-6-5-7-13(8-11)22(2)17(20)21-14-9-12(18)10-15(16(14)19)25(3,23)24;/h5-10H,4H2,1-3H3,(H2,20,21);1H/p-1