2-nitro-N-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]benzenesulfonamide Openeye Name: N-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-2-nitro-benzenesulfonamide Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])NCC(COC2=CC=CC=C2)O

Isomeric SMILES

CC(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])NCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C18H23N3O6S/c1-14(19-12-15(22)13-27-16-7-3-2-4-8-16)11-20-28(25,26)18-10-6-5-9-17(18)21(23)24/h2-10,14-15,19-20,22H,11-13H2,1H3