4-[(3-azanyl-3-oxidanylidene-propyl)amino]benzenesulfonic acid

Systemtic Name: 4-[(3-azanyl-3-oxidanylidene-propyl)amino]benzenesulfonic acid Openeye Name: 4-[(3-amino-3-oxo-propyl)amino]benzenesulfonic acid CAS Name: 4-[(3-amino-3-oxopropyl)amino]benzenesulfonic acid IUPAC Name: 4-[(3-amino-3-oxopropyl)amino]benzenesulfonic acid Traditional Name: 4-[(3-amino-3-keto-propyl)amino]besylic acid Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCC(=O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NCCC(=O)N)S(=O)(=O)O

InChI

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