N1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N4,N4-diethyl-benzene-1,4-disulfonamide

Systemtic Name: N1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N4,N4-diethyl-benzene-1,4-disulfonamide Openeye Name: N1-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N4,N4-diethyl-benzene-1,4-disulfonamide CAS Name: N1-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N4,N4-diethylbenzene-1,4-disulfonamide IUPAC Name: 1-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-N,4-N-diethylbenzene-1,4-disulfonamide Traditional Name: N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-N',N'-diethyl-benzene-1,4-disulfonamide Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C3CC(OC3=C2)C)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C3C[C@@H](OC3=C2)C)OCC

InChI

InChI=1S/C21H28N2O6S2/c1-5-23(6-2)31(26,27)18-10-8-17(9-11-18)30(24,25)22-19-14-20-16(12-15(4)29-20)13-21(19)28-7-3/h8-11,13-15,22H,5-7,12H2,1-4H3/t15-/m0/s1