heptyl 5-(butylsulfonylamino)-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: heptyl 5-(butylsulfonylamino)-2-methyl-1-benzofuran-3-carboxylate Openeye Name: heptyl 5-(butylsulfonylamino)-2-methyl-benzofuran-3-carboxylate CAS Name: 5-(butylsulfonylamino)-2-methyl-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 5-(butylsulfonylamino)-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-(butylsulfonylamino)-2-methyl-benzofuran-3-carboxylic acid heptyl ester Formula: C21H31NO5S MolecularWeight: 409.53954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)CCCC)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)CCCC)C

InChI

InChI=1S/C21H31NO5S/c1-4-6-8-9-10-13-26-21(23)20-16(3)27-19-12-11-17(15-18(19)20)22-28(24,25)14-7-5-2/h11-12,15,22H,4-10,13-14H2,1-3H3