4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(CC)CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(CC)CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6S/c1-4-22(15-16-7-10-20-21(13-16)30-12-11-29-20)18-9-8-17(14-19(18)24(25)26)31(27,28)23(5-2)6-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3