propan-2-yl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: propan-2-yl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: isopropyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-3-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzofuran-3-carboxylic acid isopropyl ester Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=C3C(=O)OC(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=C3C(=O)OC(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7S/c1-11(2)28-20(23)19-13(4)29-18-8-6-14(9-16(18)19)21-30(26,27)15-7-5-12(3)17(10-15)22(24)25/h5-11,21H,1-4H3