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

Systemtic Name: [3-[1-[carbamimidoyl-(methylideneamino)amino]ethoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate Openeye Name: [3-[1-[carbamimidoyl-(methyleneamino)amino]ethoxy]-5-methyl-phenyl] 2-cyanobenzenesulfonate CAS Name: 2-cyanobenzenesulfonic acid [3-[1-[carbamimidoyl-(methyleneamino)amino]ethoxy]-5-methylphenyl] ester IUPAC Name: [3-[1-[carbamimidoyl-(methylideneamino)amino]ethoxy]-5-methylphenyl] 2-cyanobenzenesulfonate Traditional Name: 2-cyanobenzenesulfonic acid [3-[1-[amidino-(methyleneamino)amino]ethoxy]-5-methyl-phenyl] ester Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OC(C)N(C(=N)N)N=C

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2C#N)OC(C)N(C(=N)N)N=C

InChI

InChI=1S/C18H19N5O4S/c1-12-8-15(26-13(2)23(22-3)18(20)21)10-16(9-12)27-28(24,25)17-7-5-4-6-14(17)11-19/h4-10,13H,3H2,1-2H3,(H3,20,21)