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

Systemtic Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-nitro-benzenesulfonamide Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S/c1-11(12-2-7-15-16(10-12)24-9-8-23-15)17-25(21,22)14-5-3-13(4-6-14)18(19)20/h2-7,10-11,17H,8-9H2,1H3/t11-/m1/s1