heptyl 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: heptyl 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: heptyl 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2,5-dimethylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid heptyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C)C)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C)C)C

InChI

InChI=1S/C25H31NO5S/c1-5-6-7-8-9-14-30-25(27)24-19(4)31-22-13-12-20(16-21(22)24)26-32(28,29)23-15-17(2)10-11-18(23)3/h10-13,15-16,26H,5-9,14H2,1-4H3