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

Systemtic Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c1-3-21(4-2)29(25,26)15-9-10-16(17(11-15)22(23)24)20-12-14-13-27-18-7-5-6-8-19(18)28-14/h5-11,14,20H,3-4,12-13H2,1-2H3/t14-/m0/s1