[2-(2-azanylethanoyloxysulfonyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [2-(2-azanylethanoyloxysulfonyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [2-(2-aminoacetyl)oxysulfonylphenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [2-(2-amino-1-oxoethoxy)sulfonylphenyl] ester IUPAC Name: [2-(2-aminoacetyl)oxysulfonylphenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid (2-glycyloxysulfonylphenyl) ester Formula: C16H16N4O6S MolecularWeight: 392.38644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N)S(=O)(=O)OC(=O)CN

Isomeric SMILES

C1=CC=C(C(=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N)S(=O)(=O)OC(=O)CN

InChI

InChI=1S/C16H16N4O6S/c17-9-14(21)26-27(23,24)13-4-2-1-3-12(13)25-15(22)10-5-7-11(8-6-10)20-16(18)19/h1-8H,9,17H2,(H4,18,19,20)