heptyl 2-methyl-5-(thiophen-2-ylsulfonylamino)benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: heptyl 2-methyl-5-(thiophen-2-ylsulfonylamino)benzo[g][1]benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-(2-thienylsulfonylamino)benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-(thiophen-2-ylsulfonylamino)-3-benzo[g]benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-(thiophen-2-ylsulfonylamino)benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(2-thienylsulfonylamino)benzo[g]benzofuran-3-carboxylic acid heptyl ester Formula: C25H27NO5S2 MolecularWeight: 485.61558

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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=CS4)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C25H27NO5S2/c1-3-4-5-6-9-14-30-25(27)23-17(2)31-24-19-12-8-7-11-18(19)21(16-20(23)24)26-33(28,29)22-13-10-15-32-22/h7-8,10-13,15-16,26H,3-6,9,14H2,1-2H3