4-(3-azanylpropanoylamino)benzenesulfonic acid

Systemtic Name: 4-(3-azanylpropanoylamino)benzenesulfonic acid Openeye Name: 4-(3-aminopropanoylamino)benzenesulfonic acid CAS Name: 4-[(3-amino-1-oxopropyl)amino]benzenesulfonic acid IUPAC Name: 4-(3-aminopropanoylamino)benzenesulfonic acid Traditional Name: 4-(3-aminopropanoylamino)besylic acid Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCN)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCN)S(=O)(=O)O

InChI

InChI=1S/C9H12N2O4S/c10-6-5-9(12)11-7-1-3-8(4-2-7)16(13,14)15/h1-4H,5-6,10H2,(H,11,12)(H,13,14,15)