4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(2,3-dihydrobenzofuran-2-ylmethylamino)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-(2,3-dihydrobenzofuran-2-ylmethylamino)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(coumaran-2-ylmethylamino)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2CC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2CC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S/c1-22(2)10-9-21-29(26,27)16-7-8-17(18(12-16)23(24)25)20-13-15-11-14-5-3-4-6-19(14)28-15/h3-8,12,15,20-21H,9-11,13H2,1-2H3