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

Systemtic Name: heptyl 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: heptyl 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-tert-butylphenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylic acid heptyl ester Formula: C27H35NO5S MolecularWeight: 485.6355

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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)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO5S/c1-6-7-8-9-10-17-32-26(29)25-19(2)33-24-16-13-21(18-23(24)25)28-34(30,31)22-14-11-20(12-15-22)27(3,4)5/h11-16,18,28H,6-10,17H2,1-5H3