N-methyl-3-nitro-4-(3-phenylmethoxypropylamino)benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-(3-phenylmethoxypropylamino)benzenesulfonamide Openeye Name: 4-(3-benzyloxypropylamino)-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-methyl-3-nitro-4-(3-phenylmethoxypropylamino)benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-(3-phenylmethoxypropylamino)benzenesulfonamide Traditional Name: 4-(3-benzoxypropylamino)-N-methyl-3-nitro-benzenesulfonamide Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCCCOCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCCCOCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S/c1-18-26(23,24)15-8-9-16(17(12-15)20(21)22)19-10-5-11-25-13-14-6-3-2-4-7-14/h2-4,6-9,12,18-19H,5,10-11,13H2,1H3