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

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(4-mesyl-2-nitro-phenyl)amine Formula: C16H16N2O6S MolecularWeight: 364.37304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC2COC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC[C@H]2COC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c1-25(21,22)12-6-7-13(14(8-12)18(19)20)17-9-11-10-23-15-4-2-3-5-16(15)24-11/h2-8,11,17H,9-10H2,1H3/t11-/m0/s1