2-azanyl-4-(propanoylamino)benzenesulfonic acid

Systemtic Name: 2-azanyl-4-(propanoylamino)benzenesulfonic acid Openeye Name: 2-amino-4-(propanoylamino)benzenesulfonic acid CAS Name: 2-amino-4-(1-oxopropylamino)benzenesulfonic acid IUPAC Name: 2-amino-4-(propanoylamino)benzenesulfonic acid Traditional Name: 2-amino-4-propionamido-besylic acid Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O4S/c1-2-9(12)11-6-3-4-8(7(10)5-6)16(13,14)15/h3-5H,2,10H2,1H3,(H,11,12)(H,13,14,15)