methyl 2-tert-butyl-5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: methyl 2-tert-butyl-5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: methyl 2-tert-butyl-5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]benzofuran-3-carboxylate CAS Name: 2-tert-butyl-5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-tert-butyl-5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-tert-butyl-5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]benzofuran-3-carboxylic acid methyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H22N2O8S/c1-21(2,3)19-18(20(24)30-5)14-10-12(6-8-16(14)31-19)22-32(27,28)13-7-9-17(29-4)15(11-13)23(25)26/h6-11,22H,1-5H3