(3-methoxy-5-propyl-phenyl) 2-chloranylbenzenesulfonate; 2-(methylideneamino)guanidine

Systemtic Name: (3-methoxy-5-propyl-phenyl) 2-chloranylbenzenesulfonate; 2-(methylideneamino)guanidine Openeye Name: (3-methoxy-5-propyl-phenyl) 2-chlorobenzenesulfonate; 2-(methyleneamino)guanidine CAS Name: 2-chlorobenzenesulfonic acid (3-methoxy-5-propylphenyl) ester; 2-(methyleneamino)guanidine IUPAC Name: (3-methoxy-5-propylphenyl) 2-chlorobenzenesulfonate; 2-(methylideneamino)guanidine Traditional Name: 2-chlorobenzenesulfonic acid (3-methoxy-5-propyl-phenyl) ester; 2-(methyleneamino)guanidine Formula: C18H23ClN4O4S MolecularWeight: 426.91762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OC.C=NN=C(N)N

Isomeric SMILES

CCCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OC.C=NN=C(N)N

InChI

InChI=1S/C16H17ClO4S.C2H6N4/c1-3-6-12-9-13(20-2)11-14(10-12)21-22(18,19)16-8-5-4-7-15(16)17;1-5-6-2(3)4/h4-5,7-11H,3,6H2,1-2H3;1H2,(H4,3,4,6)