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

Systemtic Name: [3-[1-[carbamimidoyl-(methylideneamino)amino]ethoxy]-5-methyl-phenyl] 2-methoxybenzenesulfonate Openeye Name: [3-[1-[carbamimidoyl-(methyleneamino)amino]ethoxy]-5-methyl-phenyl] 2-methoxybenzenesulfonate CAS Name: 2-methoxybenzenesulfonic acid [3-[1-[carbamimidoyl-(methyleneamino)amino]ethoxy]-5-methylphenyl] ester IUPAC Name: [3-[1-[carbamimidoyl-(methylideneamino)amino]ethoxy]-5-methylphenyl] 2-methoxybenzenesulfonate Traditional Name: 2-methoxybenzenesulfonic acid [3-[1-[amidino-(methyleneamino)amino]ethoxy]-5-methyl-phenyl] ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2OC)OC(C)N(C(=N)N)N=C

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2OC)OC(C)N(C(=N)N)N=C

InChI

InChI=1S/C18H22N4O5S/c1-12-9-14(26-13(2)22(21-3)18(19)20)11-15(10-12)27-28(23,24)17-8-6-5-7-16(17)25-4/h5-11,13H,3H2,1-2,4H3,(H3,19,20)