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

Systemtic Name: 4-chloranyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-3-nitro-benzenesulfonamide Formula: C16H15ClN2O6S MolecularWeight: 398.8181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O6S/c1-18(9-11-10-24-15-4-2-3-5-16(15)25-11)26(22,23)12-6-7-13(17)14(8-12)19(20)21/h2-8,11H,9-10H2,1H3/t11-/m0/s1