ethyl 5-[butanoyl(naphthalen-2-ylsulfonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[butanoyl(naphthalen-2-ylsulfonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[butanoyl(2-naphthylsulfonyl)amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[2-naphthalenylsulfonyl(1-oxobutyl)amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[butanoyl(naphthalen-2-ylsulfonyl)amino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl(2-naphthylsulfonyl)amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C31H27NO6S MolecularWeight: 541.61418

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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=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OCC)C3=CC=CC=C3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H27NO6S/c1-3-10-28(33)32(39(35,36)25-17-15-21-11-8-9-14-23(21)19-25)24-16-18-27-26(20-24)29(31(34)37-4-2)30(38-27)22-12-6-5-7-13-22/h5-9,11-20H,3-4,10H2,1-2H3