N-[2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methyl]-2-(4-methoxyphenoxy)-5-nitro-benzamide

Systemtic Name: N-[2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methyl]-2-(4-methoxyphenoxy)-5-nitro-benzamide Openeye Name: N-[2,3-dihydrobenzofuran-5-yl-(4-methylsulfonylphenyl)methyl]-2-(4-methoxyphenoxy)-5-nitro-benzamide CAS Name: N-[2,3-dihydrobenzofuran-5-yl-(4-methylsulfonylphenyl)methyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide IUPAC Name: N-[2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide Traditional Name: N-[coumaran-5-yl-(4-mesylphenyl)methyl]-2-(4-methoxyphenoxy)-5-nitro-benzamide Formula: C30H26N2O8S MolecularWeight: 574.60104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(C3=CC=C(C=C3)S(=O)(=O)C)C4=CC5=C(C=C4)OCC5

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(C3=CC=C(C=C3)S(=O)(=O)C)C4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C30H26N2O8S/c1-38-23-7-9-24(10-8-23)40-28-14-6-22(32(34)35)18-26(28)30(33)31-29(19-3-11-25(12-4-19)41(2,36)37)21-5-13-27-20(17-21)15-16-39-27/h3-14,17-18,29H,15-16H2,1-2H3,(H,31,33)