cyanomethyl 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate

Systemtic Name: cyanomethyl 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate Openeye Name: cyanomethyl 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid cyanomethyl ester Formula: C14H12ClN3O5S MolecularWeight: 369.78018

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)OCC#N)S(=O)(=O)N)Cl

Isomeric SMILES

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)OCC#N)S(=O)(=O)N)Cl

InChI

InChI=1S/C14H12ClN3O5S/c15-11-7-12(18-8-9-2-1-4-22-9)10(14(19)23-5-3-16)6-13(11)24(17,20)21/h1-2,4,6-7,18H,5,8H2,(H2,17,20,21)