(phenylmethyl) 2-methyl-5-(naphthalen-2-ylsulfonylamino)benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-5-(naphthalen-2-ylsulfonylamino)benzo[g][1]benzofuran-3-carboxylate Openeye Name: benzyl 2-methyl-5-(2-naphthylsulfonylamino)benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-(2-naphthalenylsulfonylamino)-3-benzo[g]benzofurancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-5-(naphthalen-2-ylsulfonylamino)benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(2-naphthylsulfonylamino)benzo[g]benzofuran-3-carboxylic acid benzyl ester Formula: C31H23NO5S MolecularWeight: 521.58302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=C(O1)C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C31H23NO5S/c1-20-29(31(33)36-19-21-9-3-2-4-10-21)27-18-28(25-13-7-8-14-26(25)30(27)37-20)32-38(34,35)24-16-15-22-11-5-6-12-23(22)17-24/h2-18,32H,19H2,1H3