methyl 5-[butanoyl-(4-chloranyl-3-nitro-phenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[butanoyl-(4-chloranyl-3-nitro-phenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[butanoyl-(4-chloro-3-nitro-phenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-nitrophenyl)sulfonyl-(1-oxobutyl)amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[butanoyl-(4-chloro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl-(4-chloro-3-nitro-phenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C21H19ClN2O8S MolecularWeight: 494.90216

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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(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O8S/c1-4-5-19(25)23(33(29,30)14-7-8-16(22)17(11-14)24(27)28)13-6-9-18-15(10-13)20(12(2)32-18)21(26)31-3/h6-11H,4-5H2,1-3H3