heptyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate

Systemtic Name: heptyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-(p-tolylsulfonylamino)benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methylphenyl)sulfonylamino]-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(tosylamino)benzofuran-3-carboxylic acid heptyl ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO5S/c1-4-5-6-7-8-15-29-24(26)23-18(3)30-22-14-11-19(16-21(22)23)25-31(27,28)20-12-9-17(2)10-13-20/h9-14,16,25H,4-8,15H2,1-3H3