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

Systemtic Name: heptyl 2-methyl-5-(naphthalen-2-ylsulfonylamino)benzo[g][1]benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-(2-naphthylsulfonylamino)benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-(2-naphthalenylsulfonylamino)-3-benzo[g]benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C31H31NO5S MolecularWeight: 529.64654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C31H31NO5S/c1-3-4-5-6-11-18-36-31(33)29-21(2)37-30-26-15-10-9-14-25(26)28(20-27(29)30)32-38(34,35)24-17-16-22-12-7-8-13-23(22)19-24/h7-10,12-17,19-20,32H,3-6,11,18H2,1-2H3