ethyl 5-[butanoyl-(2,4-dimethylphenyl)sulfonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[butanoyl-(2,4-dimethylphenyl)sulfonyl-amino]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[butanoyl-(2,4-dimethylphenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(2,4-dimethylphenyl)sulfonyl-(1-oxobutyl)amino]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[butanoyl-(2,4-dimethylphenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl-(2,4-dimethylphenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C29H29NO6S MolecularWeight: 519.60866

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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=C(C=C(C=C4)C)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=C(C=C4)C)C

InChI

InChI=1S/C29H29NO6S/c1-5-10-26(31)30(37(33,34)25-16-13-19(3)17-20(25)4)22-14-15-24-23(18-22)27(29(32)35-6-2)28(36-24)21-11-8-7-9-12-21/h7-9,11-18H,5-6,10H2,1-4H3