methylsulfonyl 4-[bis(azanyl)methylidenecarbamoyl]-2-pyrrol-1-yl-benzoate

Systemtic Name: methylsulfonyl 4-[bis(azanyl)methylidenecarbamoyl]-2-pyrrol-1-yl-benzoate Openeye Name: methylsulfonyl 4-(diaminomethylenecarbamoyl)-2-pyrrol-1-yl-benzoate CAS Name: 4-[(diaminomethylideneamino)-oxomethyl]-2-(1-pyrrolyl)benzoic acid methylsulfonyl ester IUPAC Name: methylsulfonyl 4-(diaminomethylidenecarbamoyl)-2-pyrrol-1-ylbenzoate Traditional Name: 4-(diaminomethylenecarbamoyl)-2-pyrrol-1-yl-benzoic acid mesyl ester Formula: C14H14N4O5S MolecularWeight: 350.34976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(=O)C1=C(C=C(C=C1)C(=O)N=C(N)N)N2C=CC=C2

Isomeric SMILES

CS(=O)(=O)OC(=O)C1=C(C=C(C=C1)C(=O)N=C(N)N)N2C=CC=C2

InChI

InChI=1S/C14H14N4O5S/c1-24(21,22)23-13(20)10-5-4-9(12(19)17-14(15)16)8-11(10)18-6-2-3-7-18/h2-8H,1H3,(H4,15,16,17,19)