3-nitro-N-[2-(2-oxidanylidene-1-azacyclotridec-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[2-(2-oxidanylidene-1-azacyclotridec-1-yl)ethyl]benzenesulfonamide Openeye Name: 3-nitro-N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide CAS Name: 3-nitro-N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide Traditional Name: N-[2-(2-keto-azacyclotridec-1-yl)ethyl]-3-nitro-benzenesulfonamide Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=O)N(CCCCC1)CCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCCCCC(=O)N(CCCCC1)CCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H31N3O5S/c24-20-13-8-6-4-2-1-3-5-7-9-15-22(20)16-14-21-29(27,28)19-12-10-11-18(17-19)23(25)26/h10-12,17,21H,1-9,13-16H2