ethyl 3-methyl-5-(3-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-(3-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(3-methyl-1-piperidyl)sulfonyl]benzofuran-2-carboxylate CAS Name: 3-methyl-5-[(3-methyl-1-piperidinyl)sulfonyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(3-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-(3-methylpiperidino)sulfonyl-coumarilic acid ethyl ester Formula: C18H23NO5S MolecularWeight: 365.44392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC(C3)C)C

InChI

InChI=1S/C18H23NO5S/c1-4-23-18(20)17-13(3)15-10-14(7-8-16(15)24-17)25(21,22)19-9-5-6-12(2)11-19/h7-8,10,12H,4-6,9,11H2,1-3H3