N-(3-azanyl-2-oxidanyl-propyl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(3-azanyl-2-oxidanyl-propyl)-4-nitro-benzenesulfonamide Openeye Name: N-(3-amino-2-hydroxy-propyl)-4-nitro-benzenesulfonamide CAS Name: N-(3-amino-2-hydroxypropyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(3-amino-2-hydroxypropyl)-4-nitrobenzenesulfonamide Traditional Name: N-(3-amino-2-hydroxy-propyl)-4-nitro-benzenesulfonamide Formula: C9H13N3O5S MolecularWeight: 275.28162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NCC(CN)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NCC(CN)O

InChI

InChI=1S/C9H13N3O5S/c10-5-8(13)6-11-18(16,17)9-3-1-7(2-4-9)12(14)15/h1-4,8,11,13H,5-6,10H2