methylsulfonyl 3-[bis(azanyl)methylidenecarbamoyl]-5-(2-cyanophenyl)benzoate

Systemtic Name: methylsulfonyl 3-[bis(azanyl)methylidenecarbamoyl]-5-(2-cyanophenyl)benzoate Openeye Name: methylsulfonyl 3-(2-cyanophenyl)-5-(diaminomethylenecarbamoyl)benzoate CAS Name: 3-(2-cyanophenyl)-5-[(diaminomethylideneamino)-oxomethyl]benzoic acid methylsulfonyl ester IUPAC Name: methylsulfonyl 3-(2-cyanophenyl)-5-(diaminomethylidenecarbamoyl)benzoate Traditional Name: 3-(2-cyanophenyl)-5-(diaminomethylenecarbamoyl)benzoic acid mesyl ester Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O5S/c1-27(24,25)26-16(23)13-7-11(14-5-3-2-4-10(14)9-18)6-12(8-13)15(22)21-17(19)20/h2-8H,1H3,(H4,19,20,21,22)