(3-ethoxy-5-methyl-phenyl) isoquinoline-5-sulfonate; 2-(methylideneamino)guanidine

Systemtic Name: (3-ethoxy-5-methyl-phenyl) isoquinoline-5-sulfonate; 2-(methylideneamino)guanidine Openeye Name: (3-ethoxy-5-methyl-phenyl) isoquinoline-5-sulfonate; 2-(methyleneamino)guanidine CAS Name: 5-isoquinolinesulfonic acid (3-ethoxy-5-methylphenyl) ester; 2-(methyleneamino)guanidine IUPAC Name: (3-ethoxy-5-methylphenyl) isoquinoline-5-sulfonate; 2-(methylideneamino)guanidine Traditional Name: isoquinoline-5-sulfonic acid (3-ethoxy-5-methyl-phenyl) ester; 2-(methyleneamino)guanidine Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC3=C2C=CN=C3.C=NN=C(N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC3=C2C=CN=C3.C=NN=C(N)N

InChI

InChI=1S/C18H17NO4S.C2H6N4/c1-3-22-15-9-13(2)10-16(11-15)23-24(20,21)18-6-4-5-14-12-19-8-7-17(14)18;1-5-6-2(3)4/h4-12H,3H2,1-2H3;1H2,(H4,3,4,6)