3-azanyl-4-methyl-5-(propanoylamino)benzenesulfonic acid

Systemtic Name: 3-azanyl-4-methyl-5-(propanoylamino)benzenesulfonic acid Openeye Name: 3-amino-4-methyl-5-(propanoylamino)benzenesulfonic acid CAS Name: 3-amino-4-methyl-5-(1-oxopropylamino)benzenesulfonic acid IUPAC Name: 3-amino-4-methyl-5-(propanoylamino)benzenesulfonic acid Traditional Name: 3-amino-4-methyl-5-propionamido-besylic acid Formula: C10H14N2O4S MolecularWeight: 258.29416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC(=C1)S(=O)(=O)O)N)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC(=C1)S(=O)(=O)O)N)C

InChI

InChI=1S/C10H14N2O4S/c1-3-10(13)12-9-5-7(17(14,15)16)4-8(11)6(9)2/h4-5H,3,11H2,1-2H3,(H,12,13)(H,14,15,16)