(3-morpholin-4-ylsulfonylphenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H23NO5S2/c22-20(18-14-27-19-7-2-1-6-17(18)19)26-13-15-4-3-5-16(12-15)28(23,24)21-8-10-25-11-9-21/h3-5,12,14H,1-2,6-11,13H2