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

Systemtic Name: butyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-4-5-10-29-21(24)20-14(3)30-19-9-7-15(11-17(19)20)22-31(27,28)16-8-6-13(2)18(12-16)23(25)26/h6-9,11-12,22H,4-5,10H2,1-3H3