methyl 3-azanyl-4-(pentan-3-ylsulfamoyl)benzoate

Systemtic Name: methyl 3-azanyl-4-(pentan-3-ylsulfamoyl)benzoate Openeye Name: methyl 3-amino-4-(1-ethylpropylsulfamoyl)benzoate CAS Name: 3-amino-4-(pentan-3-ylsulfamoyl)benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(pentan-3-ylsulfamoyl)benzoate Traditional Name: 3-amino-4-(1-ethylpropylsulfamoyl)benzoic acid methyl ester Formula: C13H20N2O4S MolecularWeight: 300.3739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)N

Isomeric SMILES

CCC(CC)NS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)N

InChI

InChI=1S/C13H20N2O4S/c1-4-10(5-2)15-20(17,18)12-7-6-9(8-11(12)14)13(16)19-3/h6-8,10,15H,4-5,14H2,1-3H3