[3-[1-[carbamimidoyl-(methylideneamino)amino]ethoxy]-5-methyl-phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-[1-[carbamimidoyl-(methylideneamino)amino]ethoxy]-5-methyl-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-[1-[carbamimidoyl-(methyleneamino)amino]ethoxy]-5-methyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-[1-[carbamimidoyl-(methyleneamino)amino]ethoxy]-5-methylphenyl] ester IUPAC Name: [3-[1-[carbamimidoyl-(methylideneamino)amino]ethoxy]-5-methylphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-[1-[amidino-(methyleneamino)amino]ethoxy]-5-methyl-phenyl] ester Formula: C17H19ClN4O4S MolecularWeight: 410.87516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OC(C)N(C(=N)N)N=C

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OC(C)N(C(=N)N)N=C

InChI

InChI=1S/C17H19ClN4O4S/c1-11-8-13(25-12(2)22(21-3)17(19)20)10-14(9-11)26-27(23,24)16-7-5-4-6-15(16)18/h4-10,12H,3H2,1-2H3,(H3,19,20)