5-nitro-2-(3-phenylmethoxypropylamino)benzenesulfonamide

Systemtic Name: 5-nitro-2-(3-phenylmethoxypropylamino)benzenesulfonamide Openeye Name: 2-(3-benzyloxypropylamino)-5-nitro-benzenesulfonamide CAS Name: 5-nitro-2-(3-phenylmethoxypropylamino)benzenesulfonamide IUPAC Name: 5-nitro-2-(3-phenylmethoxypropylamino)benzenesulfonamide Traditional Name: 2-(3-benzoxypropylamino)-5-nitro-benzenesulfonamide Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)COCCCNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C16H19N3O5S/c17-25(22,23)16-11-14(19(20)21)7-8-15(16)18-9-4-10-24-12-13-5-2-1-3-6-13/h1-3,5-8,11,18H,4,9-10,12H2,(H2,17,22,23)