3-nitro-N-[2-(2-phenylmethoxyethylamino)ethyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[2-(2-phenylmethoxyethylamino)ethyl]benzenesulfonamide Openeye Name: N-[2-(2-benzyloxyethylamino)ethyl]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[2-(2-phenylmethoxyethylamino)ethyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[2-(2-phenylmethoxyethylamino)ethyl]benzenesulfonamide Traditional Name: N-[2-(2-benzoxyethylamino)ethyl]-3-nitro-benzenesulfonamide Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c21-20(22)16-7-4-8-17(13-16)26(23,24)19-10-9-18-11-12-25-14-15-5-2-1-3-6-15/h1-8,13,18-19H,9-12,14H2