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

Systemtic Name: ethyl 5-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H24N2O8S MolecularWeight: 488.51026

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H24N2O8S/c1-5-7-21(26)24(34(30,31)20-13-17(25(28)29)9-8-14(20)3)16-10-11-19-18(12-16)22(15(4)33-19)23(27)32-6-2/h8-13H,5-7H2,1-4H3