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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-18(10-12-11-24-16-5-3-4-6-17(16)25-12)14-8-7-13(26(2,22)23)9-15(14)19(20)21/h3-9,12H,10-11H2,1-2H3/t12-/m0/s1