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

Systemtic Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N-dimethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N-dimethyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N-dimethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N-dimethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N-dimethyl-3-nitro-benzenesulfonamide Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-19(2)27(23,24)13-7-8-14(15(9-13)20(21)22)18-10-12-11-25-16-5-3-4-6-17(16)26-12/h3-9,12,18H,10-11H2,1-2H3/t12-/m0/s1