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

Systemtic Name: [3-[[carbamimidoyl-(methylideneamino)amino]methoxy]-5-methyl-phenyl] 2-methoxybenzenesulfonate Openeye Name: [3-[[carbamimidoyl-(methyleneamino)amino]methoxy]-5-methyl-phenyl] 2-methoxybenzenesulfonate CAS Name: 2-methoxybenzenesulfonic acid [3-[[carbamimidoyl-(methyleneamino)amino]methoxy]-5-methylphenyl] ester IUPAC Name: [3-[[carbamimidoyl-(methylideneamino)amino]methoxy]-5-methylphenyl] 2-methoxybenzenesulfonate Traditional Name: 2-methoxybenzenesulfonic acid [3-[[amidino-(methyleneamino)amino]methoxy]-5-methyl-phenyl] ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-12-8-13(25-11-21(20-2)17(18)19)10-14(9-12)26-27(22,23)16-7-5-4-6-15(16)24-3/h4-10H,2,11H2,1,3H3,(H3,18,19)