(3-chloranyl-5-ethylsulfonyloxy-phenyl) 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: (3-chloranyl-5-ethylsulfonyloxy-phenyl) 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: (3-chloro-5-ethylsulfonyloxy-phenyl) 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid (3-chloro-5-ethylsulfonyloxyphenyl) ester IUPAC Name: (3-chloro-5-ethylsulfonyloxyphenyl) 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid (3-chloro-5-esyloxy-phenyl) ester Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N)Cl

Isomeric SMILES

CCS(=O)(=O)OC1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N)Cl

InChI

InChI=1S/C16H16ClN3O5S/c1-2-26(22,23)25-14-8-11(17)7-13(9-14)24-15(21)10-3-5-12(6-4-10)20-16(18)19/h3-9H,2H2,1H3,(H4,18,19,20)