N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methyl-3,5-dinitrobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methyl-3,5-dinitrobenzenesulfonamide Traditional Name: N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide Formula: C16H15N3O9S MolecularWeight: 425.37

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCOC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCOC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O9S/c1-10-13(18(20)21)7-12(8-14(10)19(22)23)29(24,25)17-4-5-26-11-2-3-15-16(6-11)28-9-27-15/h2-3,6-8,17H,4-5,9H2,1H3