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

Systemtic Name: methyl 5-[butanoyl-(3-nitrophenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[butanoyl-(3-nitrophenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(3-nitrophenyl)sulfonyl-(1-oxobutyl)amino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[butanoyl-(3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl-(3-nitrophenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C21H20N2O8S MolecularWeight: 460.4571

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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=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O8S/c1-4-6-19(24)22(32(28,29)16-8-5-7-15(11-16)23(26)27)14-9-10-18-17(12-14)20(13(2)31-18)21(25)30-3/h5,7-12H,4,6H2,1-3H3