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

Systemtic Name: ethyl 5-[butanoyl-(3-nitrophenyl)sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H22N2O8S MolecularWeight: 474.48368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O8S/c1-4-7-20(25)23(33(29,30)17-9-6-8-16(12-17)24(27)28)15-10-11-19-18(13-15)21(14(3)32-19)22(26)31-5-2/h6,8-13H,4-5,7H2,1-3H3