N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-26(22,23)13-3-4-14(15(11-13)19(20)21)18-7-6-12-2-5-16-17(10-12)25-9-8-24-16/h2-5,10-11,18H,6-9H2,1H3