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

Systemtic Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-methyl-3-nitro-benzenesulfonamide Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O6S/c1-17-26(22,23)12-6-7-13(14(8-12)19(20)21)18-9-11-10-24-15-4-2-3-5-16(15)25-11/h2-8,11,17-18H,9-10H2,1H3/t11-/m0/s1