3-[4-[(3-methylbutanoylamino)sulfamoyl]phenyl]propanoate

Systemtic Name: 3-[4-[(3-methylbutanoylamino)sulfamoyl]phenyl]propanoate Openeye Name: 3-[4-[(3-methylbutanoylamino)sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[[(3-methyl-1-oxobutyl)amino]sulfamoyl]phenyl]propanoate IUPAC Name: 3-[4-[(3-methylbutanoylamino)sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[(isovalerylamino)sulfamoyl]phenyl]propionate Formula: C14H19N2O5S- MolecularWeight: 327.37606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)[O-]

InChI

InChI=1S/C14H20N2O5S/c1-10(2)9-13(17)15-16-22(20,21)12-6-3-11(4-7-12)5-8-14(18)19/h3-4,6-7,10,16H,5,8-9H2,1-2H3,(H,15,17)(H,18,19)/p-1