butyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N2O7S/c1-3-4-10-28-20(23)19-13(2)29-18-9-8-14(11-17(18)19)21-30(26,27)16-7-5-6-15(12-16)22(24)25/h5-9,11-12,21H,3-4,10H2,1-2H3