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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: homopiperonyl-(4-mesyl-2-nitro-phenyl)amine Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

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