methyl 5-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonyl-(1-oxobutyl)amino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[butanoyl-(2-methyl-5-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C22H22N2O8S MolecularWeight: 474.48368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OC)C)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OC)C)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N2O8S/c1-5-6-20(25)23(33(29,30)19-12-16(24(27)28)8-7-13(19)2)15-9-10-18-17(11-15)21(14(3)32-18)22(26)31-4/h7-12H,5-6H2,1-4H3