2-azanyl-4-(3-chloranylpropanoylamino)benzenesulfonic acid

Systemtic Name: 2-azanyl-4-(3-chloranylpropanoylamino)benzenesulfonic acid Openeye Name: 2-amino-4-(3-chloropropanoylamino)benzenesulfonic acid CAS Name: 2-amino-4-[(3-chloro-1-oxopropyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-(3-chloropropanoylamino)benzenesulfonic acid Traditional Name: 2-amino-4-(3-chloropropanoylamino)besylic acid Formula: C9H11ClN2O4S MolecularWeight: 278.71264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCl)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCl)N)S(=O)(=O)O

InChI

InChI=1S/C9H11ClN2O4S/c10-4-3-9(13)12-6-1-2-8(7(11)5-6)17(14,15)16/h1-2,5H,3-4,11H2,(H,12,13)(H,14,15,16)