heptyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: heptyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: heptyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(p-phenetylsulfonylamino)benzo[g]benzofuran-3-carboxylic acid heptyl ester Formula: C29H33NO6S MolecularWeight: 523.64042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)OCC)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)OCC)C

InChI

InChI=1S/C29H33NO6S/c1-4-6-7-8-11-18-35-29(31)27-20(3)36-28-24-13-10-9-12-23(24)26(19-25(27)28)30-37(32,33)22-16-14-21(15-17-22)34-5-2/h9-10,12-17,19,30H,4-8,11,18H2,1-3H3