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

Systemtic Name: methyl 5-[butanoyl-[4-(2-methylpropyl)phenyl]sulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[butanoyl-(4-isobutylphenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 2-methyl-5-[[4-(2-methylpropyl)phenyl]sulfonyl-(1-oxobutyl)amino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[butanoyl-[4-(2-methylpropyl)phenyl]sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[butyryl-(4-isobutylphenyl)sulfonyl-amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C25H29NO6S MolecularWeight: 471.56586

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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)CC(C)C

Isomeric SMILES

CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OC)C)S(=O)(=O)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C25H29NO6S/c1-6-7-23(27)26(33(29,30)20-11-8-18(9-12-20)14-16(2)3)19-10-13-22-21(15-19)24(17(4)32-22)25(28)31-5/h8-13,15-16H,6-7,14H2,1-5H3