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

Systemtic Name: ethyl 5-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(2-methyl-5-nitrophenyl)sulfonyl-(1-oxobutyl)amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[butanoyl-(2-methyl-5-nitrophenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C28H26N2O8S MolecularWeight: 550.57964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OCC)C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OCC)C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H26N2O8S/c1-4-9-25(31)29(39(35,36)24-17-21(30(33)34)13-12-18(24)3)20-14-15-23-22(16-20)26(28(32)37-5-2)27(38-23)19-10-7-6-8-11-19/h6-8,10-17H,4-5,9H2,1-3H3