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

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-4-methylbenzenesulfonamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-4-methyl-benzenesulfonamide Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6S/c1-11-2-5-13(6-3-11)25(21,22)17-14(9-18(19)20)12-4-7-15-16(8-12)24-10-23-15/h2-8,14,17H,9-10H2,1H3