3-cyanopropyl 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: 3-cyanopropyl 2-methyl-5-sulfamoyl-benzoate Openeye Name: 3-cyanopropyl 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid 3-cyanopropyl ester Formula: C12H14N2O4S MolecularWeight: 282.31556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCCCC#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCCCC#N

InChI

InChI=1S/C12H14N2O4S/c1-9-4-5-10(19(14,16)17)8-11(9)12(15)18-7-3-2-6-13/h4-5,8H,2-3,7H2,1H3,(H2,14,16,17)