2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H21N3O7S/c1-30-19-7-3-2-6-17(19)24-33(28,29)22-12-15(25(26)27)10-11-18(22)23-13-16-14-31-20-8-4-5-9-21(20)32-16/h2-12,16,23-24H,13-14H2,1H3/t16-/m0/s1