(3-ethoxy-5-methyl-phenyl) 5-bromanyl-2-methoxy-benzenesulfonate; 2-(methylideneamino)guanidine

Systemtic Name: (3-ethoxy-5-methyl-phenyl) 5-bromanyl-2-methoxy-benzenesulfonate; 2-(methylideneamino)guanidine Openeye Name: (3-ethoxy-5-methyl-phenyl) 5-bromo-2-methoxy-benzenesulfonate; 2-(methyleneamino)guanidine CAS Name: 5-bromo-2-methoxybenzenesulfonic acid (3-ethoxy-5-methylphenyl) ester; 2-(methyleneamino)guanidine IUPAC Name: (3-ethoxy-5-methylphenyl) 5-bromo-2-methoxybenzenesulfonate; 2-(methylideneamino)guanidine Traditional Name: 5-bromo-2-methoxy-benzenesulfonic acid (3-ethoxy-5-methyl-phenyl) ester; 2-(methyleneamino)guanidine Formula: C18H23BrN4O5S MolecularWeight: 487.36802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=C(C=CC(=C2)Br)OC.C=NN=C(N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=C(C=CC(=C2)Br)OC.C=NN=C(N)N

InChI

InChI=1S/C16H17BrO5S.C2H6N4/c1-4-21-13-7-11(2)8-14(10-13)22-23(18,19)16-9-12(17)5-6-15(16)20-3;1-5-6-2(3)4/h5-10H,4H2,1-3H3;1H2,(H4,3,4,6)