heptyl 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: heptyl 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-(mesitylsulfonylamino)-2-methyl-benzo[g]benzofuran-3-carboxylic acid heptyl ester Formula: C30H35NO5S MolecularWeight: 521.6676

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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=C(C=C(C=C4C)C)C)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=C(C=C(C=C4C)C)C)C

InChI

InChI=1S/C30H35NO5S/c1-6-7-8-9-12-15-35-30(32)27-22(5)36-28-24-14-11-10-13-23(24)26(18-25(27)28)31-37(33,34)29-20(3)16-19(2)17-21(29)4/h10-11,13-14,16-18,31H,6-9,12,15H2,1-5H3