N-[2-[2-hydroxyethyl-(3-nitrophenyl)sulfonyl-amino]ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[2-hydroxyethyl-(3-nitrophenyl)sulfonyl-amino]ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-[2-hydroxyethyl-(3-nitrophenyl)sulfonyl-amino]ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[2-hydroxyethyl-(3-nitrophenyl)sulfonylamino]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[2-hydroxyethyl-(3-nitrophenyl)sulfonylamino]ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-[2-hydroxyethyl-(3-nitrophenyl)sulfonyl-amino]ethyl]-3-nitro-benzenesulfonamide Formula: C16H18N4O9S2 MolecularWeight: 474.46552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCN(CCO)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCN(CCO)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O9S2/c21-10-9-18(31(28,29)16-6-2-4-14(12-16)20(24)25)8-7-17-30(26,27)15-5-1-3-13(11-15)19(22)23/h1-6,11-12,17,21H,7-10H2