4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

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