N-(3-azanylpropyl)-2-chloranyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(3-azanylpropyl)-2-chloranyl-5-nitro-benzenesulfonamide Openeye Name: N-(3-aminopropyl)-2-chloro-5-nitro-benzenesulfonamide CAS Name: N-(3-aminopropyl)-2-chloro-5-nitrobenzenesulfonamide IUPAC Name: N-(3-aminopropyl)-2-chloro-5-nitrobenzenesulfonamide Traditional Name: N-(3-aminopropyl)-2-chloro-5-nitro-benzenesulfonamide Formula: C9H12ClN3O4S MolecularWeight: 293.72728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCN)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCN)Cl

InChI

InChI=1S/C9H12ClN3O4S/c10-8-3-2-7(13(14)15)6-9(8)18(16,17)12-5-1-4-11/h2-3,6,12H,1,4-5,11H2