N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dinitro-benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dinitro-benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dinitro-benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dinitrobenzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dinitrobenzenesulfonamide Traditional Name: N-homoveratryl-2,4-dinitro-benzenesulfonamide Formula: C16H17N3O8S MolecularWeight: 411.38648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C16H17N3O8S/c1-26-14-5-3-11(9-15(14)27-2)7-8-17-28(24,25)16-6-4-12(18(20)21)10-13(16)19(22)23/h3-6,9-10,17H,7-8H2,1-2H3